N-cyclopropyl-1-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]piperidine-4-carboxamide

C24H33N5O — CID 28634745

IUPACN-cyclopropyl-1-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]piperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(C2CCN(Cc3cccn3-c3ccccn3)CC2)CC1
InChIInChI=1S/C24H33N5O/c30-24(26-20-6-7-20)19-8-16-28(17-9-19)21-10-14-27(15-11-21)18-22-4-3-13-29(22)23-5-1-2-12-25-23/h1-5,12-13,19-21H,6-11,14-18H2,(H,26,30)
InChIKeyHCYMHXZPYPNOHP-UHFFFAOYSA-N
MW407.56 g/mol
LogP2.83
Rot. Bonds6

About N-cyclopropyl-1-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]piperidine-4-carboxamide

N-cyclopropyl-1-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]piperidine-4-carboxamide (PubChem CID 28634745) has the molecular formula C24H33N5O and a molecular weight of 407.56 g/mol. Its IUPAC name is N-cyclopropyl-1-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]piperidine-4-carboxamide
PubChem CID28634745
Molecular FormulaC24H33N5O
Molecular Weight407.56 g/mol
Exact Mass407.27
IUPAC NameN-cyclopropyl-1-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]piperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(C2CCN(Cc3cccn3-c3ccccn3)CC2)CC1
InChIInChI=1S/C24H33N5O/c30-24(26-20-6-7-20)19-8-16-28(17-9-19)21-10-14-27(15-11-21)18-22-4-3-13-29(22)23-5-1-2-12-25-23/h1-5,12-13,19-21H,6-11,14-18H2,(H,26,30)
InChIKeyHCYMHXZPYPNOHP-UHFFFAOYSA-N
XLogP2.83
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-1-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-1-[1-(quinolin-2-ylmethyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42095769
2-methyl-N-[2-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 42100254
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 37476276
(3R)-N-cyclopropyl-1-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95532217
N-phenyl-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-amine
CID 45244125
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968
1-phenyl-4-[(3S)-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]piperazine
CID 29025981
N-cyclopropyl-1-pyridin-2-ylpyrrolidine-2-carboxamide
CID 91662065
N-cycloheptyl-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide
CID 30137317
N-cyclopropyl-1-[1-(quinolin-5-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56739434
1-[1-[(4-ethynylphenyl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 24817224
1-(2-methylphenyl)-4-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]piperazine
CID 45199090

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]piperidine-4-carboxamide (CID 28634745) is N-cyclopropyl-1-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]piperidine-4-carboxamide is O=C(NC1CC1)C1CCN(C2CCN(Cc3cccn3-c3ccccn3)CC2)CC1.
What is the InChIKey of N-cyclopropyl-1-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]piperidine-4-carboxamide?
The InChIKey is HCYMHXZPYPNOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O/c30-24(26-20-6-7-20)19-8-16-28(17-9-19)21-10-14-27(15-11-21)18-22-4-3-13-29(22)23-5-1-2-12-25-23/h1-5,12-13,19-21H,6-11,14-18H2,(H,26,30).
What are the key properties of N-cyclopropyl-1-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]piperidine-4-carboxamide?
N-cyclopropyl-1-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]piperidine-4-carboxamide has a molecular weight of 407.56 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 28634745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).