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

C21H34N4O2 — CID 95550513

IUPAC(3R)-N-(3-hydroxypropyl)-N-methyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCN(CCCO)C(=O)[C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1
InChIInChI=1S/C21H34N4O2/c1-23(11-3-15-26)21(27)19-4-2-12-25(17-19)20-7-13-24(14-8-20)16-18-5-9-22-10-6-18/h5-6,9-10,19-20,26H,2-4,7-8,11-17H2,1H3/t19-/m1/s1
InChIKeyKSDFBMMOCPFZBI-LJQANCHMSA-N
MW374.53 g/mol
LogP1.60
Rot. Bonds7

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

(3R)-N-(3-hydroxypropyl)-N-methyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 95550513) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is (3R)-N-(3-hydroxypropyl)-N-methyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-hydroxypropyl)-N-methyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
PubChem CID95550513
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Name(3R)-N-(3-hydroxypropyl)-N-methyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCN(CCCO)C(=O)[C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1
InChIInChI=1S/C21H34N4O2/c1-23(11-3-15-26)21(27)19-4-2-12-25(17-19)20-7-13-24(14-8-20)16-18-5-9-22-10-6-18/h5-6,9-10,19-20,26H,2-4,7-8,11-17H2,1H3/t19-/m1/s1
InChIKeyKSDFBMMOCPFZBI-LJQANCHMSA-N
XLogP1.60
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

(3R)-N-[2-(dimethylamino)ethyl]-N-methyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95557690
(3R)-N-ethyl-N-(2-hydroxyethyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95553474
(3R)-N,N-diethyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95539498
N-methyl-N-(pyrazin-2-ylmethyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 70785258
(3S)-N-methyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide
CID 96580639
(3R)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 96579526
1-(1-benzylpiperidin-4-yl)-N-ethyl-N-methylpiperidine-3-carboxamide
CID 45171529
azonan-1-yl-[(3S)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 96579465
azocan-1-yl-[1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 70776604
(3R)-N-(2-methoxyethyl)-N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95551862
N-methyl-N-(pyridin-3-ylmethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 70776101
(3S)-N-ethyl-N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95463543

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-hydroxypropyl)-N-methyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(3-hydroxypropyl)-N-methyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide (CID 95550513) is (3R)-N-(3-hydroxypropyl)-N-methyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(3-hydroxypropyl)-N-methyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(3-hydroxypropyl)-N-methyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide is CN(CCCO)C(=O)[C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1.
What is the InChIKey of (3R)-N-(3-hydroxypropyl)-N-methyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is KSDFBMMOCPFZBI-LJQANCHMSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-23(11-3-15-26)21(27)19-4-2-12-25(17-19)20-7-13-24(14-8-20)16-18-5-9-22-10-6-18/h5-6,9-10,19-20,26H,2-4,7-8,11-17H2,1H3/t19-/m1/s1.
What are the key properties of (3R)-N-(3-hydroxypropyl)-N-methyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
(3R)-N-(3-hydroxypropyl)-N-methyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 374.53 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-hydroxypropyl)-N-methyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 95550513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).