N-[4-fluoro-2-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]piperidine-1-carboxamide

C24H29FN4O3 — CID 167537230

IUPACN-[4-fluoro-2-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]piperidine-1-carboxamide
SMILESCc1ccc(OC2CCN(C(=O)c3cc(F)ccc3NC(=O)N3CCCCC3)CC2)nc1
InChIInChI=1S/C24H29FN4O3/c1-17-5-8-22(26-16-17)32-19-9-13-28(14-10-19)23(30)20-15-18(25)6-7-21(20)27-24(31)29-11-3-2-4-12-29/h5-8,15-16,19H,2-4,9-14H2,1H3,(H,27,31)
InChIKeyYNHQSDQTKYBTDF-UHFFFAOYSA-N
MW440.52 g/mol
LogP4.23
Rot. Bonds4

About N-[4-fluoro-2-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]piperidine-1-carboxamide

N-[4-fluoro-2-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]piperidine-1-carboxamide (PubChem CID 167537230) has the molecular formula C24H29FN4O3 and a molecular weight of 440.52 g/mol. Its IUPAC name is N-[4-fluoro-2-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-2-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]piperidine-1-carboxamide
PubChem CID167537230
Molecular FormulaC24H29FN4O3
Molecular Weight440.52 g/mol
Exact Mass440.22
IUPAC NameN-[4-fluoro-2-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]piperidine-1-carboxamide
SMILESCc1ccc(OC2CCN(C(=O)c3cc(F)ccc3NC(=O)N3CCCCC3)CC2)nc1
InChIInChI=1S/C24H29FN4O3/c1-17-5-8-22(26-16-17)32-19-9-13-28(14-10-19)23(30)20-15-18(25)6-7-21(20)27-24(31)29-11-3-2-4-12-29/h5-8,15-16,19H,2-4,9-14H2,1H3,(H,27,31)
InChIKeyYNHQSDQTKYBTDF-UHFFFAOYSA-N
XLogP4.23
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-difluoro-2-hydroxyphenyl)-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 146106621
4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carboxylic acid
CID 126505601
(3R)-N-(2-ethoxyphenyl)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxamide
CID 129417822
4,4,4-trifluoro-1-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]butan-1-one
CID 84600424
(2,5-dimethylfuran-3-yl)-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 129416387
[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 126776018
(4S)-N-(6-cyclopentyloxy-3-pyridinyl)-4-(dimethylamino)azepane-1-carboxamide
CID 125138699
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[6-[1-(2-fluorobenzoyl)piperidin-4-yl]oxy-3-pyridinyl]urea
CID 68625607
(3-fluoro-4-methoxyphenyl)-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 129416784
N-(2-carbamimidoyl-4-fluorophenyl)azepane-1-carboxamide
CID 82684682
5-fluoro-2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid
CID 64599438
(4,6-dimethoxypyrimidin-2-yl)-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 138020495

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]piperidine-1-carboxamide?
The IUPAC name of N-[4-fluoro-2-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]piperidine-1-carboxamide (CID 167537230) is N-[4-fluoro-2-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[4-fluoro-2-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]piperidine-1-carboxamide?
The canonical SMILES for N-[4-fluoro-2-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]piperidine-1-carboxamide is Cc1ccc(OC2CCN(C(=O)c3cc(F)ccc3NC(=O)N3CCCCC3)CC2)nc1.
What is the InChIKey of N-[4-fluoro-2-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]piperidine-1-carboxamide?
The InChIKey is YNHQSDQTKYBTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O3/c1-17-5-8-22(26-16-17)32-19-9-13-28(14-10-19)23(30)20-15-18(25)6-7-21(20)27-24(31)29-11-3-2-4-12-29/h5-8,15-16,19H,2-4,9-14H2,1H3,(H,27,31).
What are the key properties of N-[4-fluoro-2-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]piperidine-1-carboxamide?
N-[4-fluoro-2-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]piperidine-1-carboxamide has a molecular weight of 440.52 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-2-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 167537230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).