N-[1-[1-(2,4-dimethylpyridine-3-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-N-[(3-fluorophenyl)methyl]oxolane-3-carboxamide

C31H41FN4O3 — CID 11570119

IUPACN-[1-[1-(2,4-dimethylpyridine-3-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-N-[(3-fluorophenyl)methyl]oxolane-3-carboxamide
SMILESCc1ccnc(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3cccc(F)c3)C(=O)C3CCOC3)CC2)CC1
InChIInChI=1S/C31H41FN4O3/c1-22-7-13-33-23(2)28(22)30(38)34-16-11-31(3,12-17-34)35-14-8-27(9-15-35)36(29(37)25-10-18-39-21-25)20-24-5-4-6-26(32)19-24/h4-7,13,19,25,27H,8-12,14-18,20-21H2,1-3H3
InChIKeyGDNBHXHWQZYOMI-UHFFFAOYSA-N
MW536.69 g/mol
LogP4.36
Rot. Bonds6

About N-[1-[1-(2,4-dimethylpyridine-3-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-N-[(3-fluorophenyl)methyl]oxolane-3-carboxamide

N-[1-[1-(2,4-dimethylpyridine-3-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-N-[(3-fluorophenyl)methyl]oxolane-3-carboxamide (PubChem CID 11570119) has the molecular formula C31H41FN4O3 and a molecular weight of 536.69 g/mol. Its IUPAC name is N-[1-[1-(2,4-dimethylpyridine-3-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-N-[(3-fluorophenyl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(2,4-dimethylpyridine-3-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-N-[(3-fluorophenyl)methyl]oxolane-3-carboxamide
PubChem CID11570119
Molecular FormulaC31H41FN4O3
Molecular Weight536.69 g/mol
Exact Mass536.32
IUPAC NameN-[1-[1-(2,4-dimethylpyridine-3-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-N-[(3-fluorophenyl)methyl]oxolane-3-carboxamide
SMILESCc1ccnc(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3cccc(F)c3)C(=O)C3CCOC3)CC2)CC1
InChIInChI=1S/C31H41FN4O3/c1-22-7-13-33-23(2)28(22)30(38)34-16-11-31(3,12-17-34)35-14-8-27(9-15-35)36(29(37)25-10-18-39-21-25)20-24-5-4-6-26(32)19-24/h4-7,13,19,25,27H,8-12,14-18,20-21H2,1-3H3
InChIKeyGDNBHXHWQZYOMI-UHFFFAOYSA-N
XLogP4.36
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.69
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-[1-[1-(2,4-dimethylpyridine-3-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]propanamide;dihydrochloride
CID 68952504
[4-[4-[C-(4-bromophenyl)-N-methylcarbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,4-dimethyl-3-pyridinyl)methanone;formaldehyde
CID 123529042
[4-[4-(N-benzyl-4-methylanilino)piperidin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone
CID 59732269
(4,6-dimethylpyrimidin-5-yl)-[4-[4-[2-(3-fluorophenyl)-1-[4-(trifluoromethoxy)phenyl]ethyl]piperidin-1-yl]-4-methylpiperidin-1-yl]methanone
CID 59034580
(2S)-2-[4-[benzyl-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]amino]phenyl]-2-hydroxy-1-morpholin-4-ylethanone
CID 11422320
[4-[4-(N-benzyl-3-chloroanilino)piperidin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone
CID 10280109
N-cyclopropyl-1-(2,2-dimethylpropanoyl)-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide
CID 55582556
N-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119284923
2-[4-[benzyl-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]amino]phenyl]acetonitrile
CID 11398550
N-benzyl-N-[1-[8-(2,4-dimethylpyridine-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidin-3-yl]cyclopropanecarboxamide
CID 76594606
4-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 60939318
(2R,3R)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
CID 128986472

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2,4-dimethylpyridine-3-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-N-[(3-fluorophenyl)methyl]oxolane-3-carboxamide?
The IUPAC name of N-[1-[1-(2,4-dimethylpyridine-3-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-N-[(3-fluorophenyl)methyl]oxolane-3-carboxamide (CID 11570119) is N-[1-[1-(2,4-dimethylpyridine-3-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-N-[(3-fluorophenyl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[1-[1-(2,4-dimethylpyridine-3-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-N-[(3-fluorophenyl)methyl]oxolane-3-carboxamide?
The canonical SMILES for N-[1-[1-(2,4-dimethylpyridine-3-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-N-[(3-fluorophenyl)methyl]oxolane-3-carboxamide is Cc1ccnc(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3cccc(F)c3)C(=O)C3CCOC3)CC2)CC1.
What is the InChIKey of N-[1-[1-(2,4-dimethylpyridine-3-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-N-[(3-fluorophenyl)methyl]oxolane-3-carboxamide?
The InChIKey is GDNBHXHWQZYOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41FN4O3/c1-22-7-13-33-23(2)28(22)30(38)34-16-11-31(3,12-17-34)35-14-8-27(9-15-35)36(29(37)25-10-18-39-21-25)20-24-5-4-6-26(32)19-24/h4-7,13,19,25,27H,8-12,14-18,20-21H2,1-3H3.
What are the key properties of N-[1-[1-(2,4-dimethylpyridine-3-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-N-[(3-fluorophenyl)methyl]oxolane-3-carboxamide?
N-[1-[1-(2,4-dimethylpyridine-3-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-N-[(3-fluorophenyl)methyl]oxolane-3-carboxamide has a molecular weight of 536.69 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2,4-dimethylpyridine-3-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-N-[(3-fluorophenyl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 11570119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).