N-[(1-benzylpiperidin-4-yl)methyl]-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide

C23H36N4O — CID 126423909

IUPACN-[(1-benzylpiperidin-4-yl)methyl]-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
SMILESC[C@@H]1CCCCN1C1CN(C(=O)NCC2CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C23H36N4O/c1-19-7-5-6-12-27(19)22-17-26(18-22)23(28)24-15-20-10-13-25(14-11-20)16-21-8-3-2-4-9-21/h2-4,8-9,19-20,22H,5-7,10-18H2,1H3,(H,24,28)/t19-/m1/s1
InChIKeyMZVBLRUWKBXPAF-LJQANCHMSA-N
MW384.57 g/mol
LogP3.17
Rot. Bonds5

About N-[(1-benzylpiperidin-4-yl)methyl]-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide

N-[(1-benzylpiperidin-4-yl)methyl]-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide (PubChem CID 126423909) has the molecular formula C23H36N4O and a molecular weight of 384.57 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-yl)methyl]-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-yl)methyl]-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
PubChem CID126423909
Molecular FormulaC23H36N4O
Molecular Weight384.57 g/mol
Exact Mass384.29
IUPAC NameN-[(1-benzylpiperidin-4-yl)methyl]-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
SMILESC[C@@H]1CCCCN1C1CN(C(=O)NCC2CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C23H36N4O/c1-19-7-5-6-12-27(19)22-17-26(18-22)23(28)24-15-20-10-13-25(14-11-20)16-21-8-3-2-4-9-21/h2-4,8-9,19-20,22H,5-7,10-18H2,1H3,(H,24,28)/t19-/m1/s1
InChIKeyMZVBLRUWKBXPAF-LJQANCHMSA-N
XLogP3.17
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.57
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-[(2R)-2-methylpiperidin-1-yl]piperidine
CID 30983085
N-[(1-benzylpiperidin-3-yl)methyl]-3-methylpiperidine-1-carboxamide
CID 60597786
N-[(2-methylphenyl)methyl]-3-(2-methylpiperidin-1-yl)azetidine-1-carboxamide
CID 119074138
1-(1-benzylpiperidin-4-yl)-3-(cyclopentylmethyl)urea
CID 38887235
N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
CID 125445475
tert-butyl N-[(1-benzylazepan-3-yl)methyl]carbamate
CID 130577903
3-(2-methylpiperidin-1-yl)-N-(thiophen-3-ylmethyl)azetidine-1-carboxamide
CID 119074455
2-(4-benzylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide
CID 31127901
(2S,4R)-1-(1-benzylpiperidin-4-yl)-N-(cyclohexylmethyl)-4-hydroxypyrrolidine-2-carboxamide
CID 155881908
1-N-benzyl-3-N-(cyclohexylmethyl)piperidine-1,3-dicarboxamide
CID 43815765
(2R,6R)-2,6-dimethyl-N-[[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]morpholine-4-carboxamide
CID 100844139
1-(1-benzylpiperidin-4-yl)-3-(cyclohexylmethyl)-1-propylurea
CID 141100611

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide?
The IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide (CID 126423909) is N-[(1-benzylpiperidin-4-yl)methyl]-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide.
What is the SMILES notation for N-[(1-benzylpiperidin-4-yl)methyl]-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide?
The canonical SMILES for N-[(1-benzylpiperidin-4-yl)methyl]-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide is C[C@@H]1CCCCN1C1CN(C(=O)NCC2CCN(Cc3ccccc3)CC2)C1.
What is the InChIKey of N-[(1-benzylpiperidin-4-yl)methyl]-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide?
The InChIKey is MZVBLRUWKBXPAF-LJQANCHMSA-N. The full InChI is InChI=1S/C23H36N4O/c1-19-7-5-6-12-27(19)22-17-26(18-22)23(28)24-15-20-10-13-25(14-11-20)16-21-8-3-2-4-9-21/h2-4,8-9,19-20,22H,5-7,10-18H2,1H3,(H,24,28)/t19-/m1/s1.
What are the key properties of N-[(1-benzylpiperidin-4-yl)methyl]-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide?
N-[(1-benzylpiperidin-4-yl)methyl]-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide has a molecular weight of 384.57 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-4-yl)methyl]-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide is sourced from PubChem (CID 126423909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).