(3R)-N-(3-methoxypropyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide

C21H34N4O2 — CID 95486412

IUPAC(3R)-N-(3-methoxypropyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCOCCCNC(=O)[C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1
InChIInChI=1S/C21H34N4O2/c1-27-15-3-9-23-21(26)19-4-2-12-25(17-19)20-7-13-24(14-8-20)16-18-5-10-22-11-6-18/h5-6,10-11,19-20H,2-4,7-9,12-17H2,1H3,(H,23,26)/t19-/m1/s1
InChIKeyVQJUTSANVSYDDU-LJQANCHMSA-N
MW374.53 g/mol
LogP1.91
Rot. Bonds8

About (3R)-N-(3-methoxypropyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide

(3R)-N-(3-methoxypropyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 95486412) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is (3R)-N-(3-methoxypropyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-methoxypropyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
PubChem CID95486412
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Name(3R)-N-(3-methoxypropyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCOCCCNC(=O)[C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1
InChIInChI=1S/C21H34N4O2/c1-27-15-3-9-23-21(26)19-4-2-12-25(17-19)20-7-13-24(14-8-20)16-18-5-10-22-11-6-18/h5-6,10-11,19-20H,2-4,7-9,12-17H2,1H3,(H,23,26)/t19-/m1/s1
InChIKeyVQJUTSANVSYDDU-LJQANCHMSA-N
XLogP1.91
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 45204948
(3S)-N-(2-methoxyethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95218435
1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-N-[2-(1,2,4-triazol-4-yl)ethyl]piperidine-3-carboxamide
CID 56875334
(3S)-N-(1-methoxy-2-methylpropan-2-yl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95549888
1-(1-benzylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 45169933
(3S)-N-benzyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 25288590
N-(2-pyridin-3-ylethyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 70731407
(3S)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-N-(pyrimidin-4-ylmethyl)piperidine-3-carboxamide
CID 95552488
N-cyclopropyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 45172510
(3R)-N-(2-pyridin-2-ylethyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 96582429
N-cyclopent-3-en-1-yl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56873782
N-(2-methoxyethyl)-1-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide
CID 56759926

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-methoxypropyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(3-methoxypropyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide (CID 95486412) is (3R)-N-(3-methoxypropyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(3-methoxypropyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(3-methoxypropyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide is COCCCNC(=O)[C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1.
What is the InChIKey of (3R)-N-(3-methoxypropyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is VQJUTSANVSYDDU-LJQANCHMSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-27-15-3-9-23-21(26)19-4-2-12-25(17-19)20-7-13-24(14-8-20)16-18-5-10-22-11-6-18/h5-6,10-11,19-20H,2-4,7-9,12-17H2,1H3,(H,23,26)/t19-/m1/s1.
What are the key properties of (3R)-N-(3-methoxypropyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
(3R)-N-(3-methoxypropyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 374.53 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-methoxypropyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 95486412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).