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

C22H35N5O — CID 95525314

IUPAC(3R)-N-piperidin-4-yl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESO=C(NC1CCNCC1)[C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1
InChIInChI=1S/C22H35N5O/c28-22(25-20-5-11-24-12-6-20)19-2-1-13-27(17-19)21-7-14-26(15-8-21)16-18-3-9-23-10-4-18/h3-4,9-10,19-21,24H,1-2,5-8,11-17H2,(H,25,28)/t19-/m1/s1
InChIKeyKRJSIDYZWMMAJL-LJQANCHMSA-N
MW385.56 g/mol
LogP1.63
Rot. Bonds5

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

(3R)-N-piperidin-4-yl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 95525314) has the molecular formula C22H35N5O and a molecular weight of 385.56 g/mol. Its IUPAC name is (3R)-N-piperidin-4-yl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-piperidin-4-yl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
PubChem CID95525314
Molecular FormulaC22H35N5O
Molecular Weight385.56 g/mol
Exact Mass385.28
IUPAC Name(3R)-N-piperidin-4-yl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESO=C(NC1CCNCC1)[C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1
InChIInChI=1S/C22H35N5O/c28-22(25-20-5-11-24-12-6-20)19-2-1-13-27(17-19)21-7-14-26(15-8-21)16-18-3-9-23-10-4-18/h3-4,9-10,19-21,24H,1-2,5-8,11-17H2,(H,25,28)/t19-/m1/s1
InChIKeyKRJSIDYZWMMAJL-LJQANCHMSA-N
XLogP1.63
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.56
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-cyclopropyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 45172510
N-cyclopent-3-en-1-yl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56873782
(3R)-N-(1-methylpiperidin-4-yl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95557331
(3R)-N-(2-methylbutan-2-yl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95563496
(3S)-1-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide
CID 95551898
(3S)-N-benzyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 25288590
1-(1-benzylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 45169933
N-butyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 45204948
(3S)-N-(1-methoxy-2-methylpropan-2-yl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95549888
azocan-1-yl-[1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 70776604
azonan-1-yl-[(3S)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 96579465
1-benzyl-N-piperidin-4-ylpiperidine-3-carboxamide;dihydrochloride
CID 119389750

Frequently Asked Questions

What is the IUPAC name of (3R)-N-piperidin-4-yl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-piperidin-4-yl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide (CID 95525314) is (3R)-N-piperidin-4-yl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-piperidin-4-yl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-piperidin-4-yl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide is O=C(NC1CCNCC1)[C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1.
What is the InChIKey of (3R)-N-piperidin-4-yl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is KRJSIDYZWMMAJL-LJQANCHMSA-N. The full InChI is InChI=1S/C22H35N5O/c28-22(25-20-5-11-24-12-6-20)19-2-1-13-27(17-19)21-7-14-26(15-8-21)16-18-3-9-23-10-4-18/h3-4,9-10,19-21,24H,1-2,5-8,11-17H2,(H,25,28)/t19-/m1/s1.
What are the key properties of (3R)-N-piperidin-4-yl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
(3R)-N-piperidin-4-yl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 385.56 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-piperidin-4-yl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 95525314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).