N-[phenyl(pyridin-2-yl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide

C23H28N4O2 — CID 126475743

IUPACN-[phenyl(pyridin-2-yl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccn1)C1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C23H28N4O2/c28-22(19-11-16-27(17-12-19)23(29)26-14-6-7-15-26)25-21(18-8-2-1-3-9-18)20-10-4-5-13-24-20/h1-5,8-10,13,19,21H,6-7,11-12,14-17H2,(H,25,28)
InChIKeyRVEXSFKCRCXKFW-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.21
Rot. Bonds4

About N-[phenyl(pyridin-2-yl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide

N-[phenyl(pyridin-2-yl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide (PubChem CID 126475743) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[phenyl(pyridin-2-yl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[phenyl(pyridin-2-yl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
PubChem CID126475743
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN-[phenyl(pyridin-2-yl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccn1)C1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C23H28N4O2/c28-22(19-11-16-27(17-12-19)23(29)26-14-6-7-15-26)25-21(18-8-2-1-3-9-18)20-10-4-5-13-24-20/h1-5,8-10,13,19,21H,6-7,11-12,14-17H2,(H,25,28)
InChIKeyRVEXSFKCRCXKFW-UHFFFAOYSA-N
XLogP3.21
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzoyl-N-[phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide
CID 126471673
1-(2-phenoxyethyl)-N-[(R)-phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide
CID 137423471
1-[2-(4-methoxyphenyl)acetyl]-N-[phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide
CID 126473165
1-N-benzyl-4-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperidine-1,4-dicarboxamide
CID 126475651
(2S)-2-phenyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]acetic acid
CID 119372610
2-[4-[[(4-fluorophenyl)-pyridin-2-ylmethyl]carbamoyl]piperidin-1-yl]-2-methylpropanoic acid
CID 121413267
3-(hydroxymethyl)-N-[phenyl(pyridin-2-yl)methyl]piperidine-1-carboxamide
CID 110894997
2-methoxyethyl 4-[[(4-methoxyphenyl)-pyridin-2-ylmethyl]carbamoyl]piperidine-1-carboxylate
CID 126475457
N-[(S)-(4-chlorophenyl)-pyridin-2-ylmethyl]-1-(3-phenoxypropyl)piperidine-4-carboxamide
CID 137423539
2-oxo-N-[phenyl(pyridin-2-yl)methyl]imidazolidine-4-carboxamide
CID 167790880
1-(cyclopropanecarbonyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide
CID 126472444
1-(1,2-oxazole-5-carbonyl)-N-[phenyl(pyrazin-2-yl)methyl]piperidine-4-carboxamide
CID 126475104

Frequently Asked Questions

What is the IUPAC name of N-[phenyl(pyridin-2-yl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[phenyl(pyridin-2-yl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide (CID 126475743) is N-[phenyl(pyridin-2-yl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[phenyl(pyridin-2-yl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[phenyl(pyridin-2-yl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide is O=C(NC(c1ccccc1)c1ccccn1)C1CCN(C(=O)N2CCCC2)CC1.
What is the InChIKey of N-[phenyl(pyridin-2-yl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The InChIKey is RVEXSFKCRCXKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c28-22(19-11-16-27(17-12-19)23(29)26-14-6-7-15-26)25-21(18-8-2-1-3-9-18)20-10-4-5-13-24-20/h1-5,8-10,13,19,21H,6-7,11-12,14-17H2,(H,25,28).
What are the key properties of N-[phenyl(pyridin-2-yl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
N-[phenyl(pyridin-2-yl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[phenyl(pyridin-2-yl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 126475743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).