(3R)-N-cyclopropyl-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-3-carboxamide

C18H27N5O — CID 95551990

IUPAC(3R)-N-cyclopropyl-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-3-carboxamide
SMILESO=C(NC1CC1)[C@@H]1CCCN(C2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C18H27N5O/c24-17(21-15-4-5-15)14-3-1-10-23(13-14)16-6-11-22(12-7-16)18-19-8-2-9-20-18/h2,8-9,14-16H,1,3-7,10-13H2,(H,21,24)/t14-/m1/s1
InChIKeyKZOYALDZQVIWAV-CQSZACIVSA-N
MW329.45 g/mol
LogP1.44
Rot. Bonds4

About (3R)-N-cyclopropyl-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-3-carboxamide

(3R)-N-cyclopropyl-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-3-carboxamide (PubChem CID 95551990) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is (3R)-N-cyclopropyl-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-cyclopropyl-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-3-carboxamide
PubChem CID95551990
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name(3R)-N-cyclopropyl-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-3-carboxamide
SMILESO=C(NC1CC1)[C@@H]1CCCN(C2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C18H27N5O/c24-17(21-15-4-5-15)14-3-1-10-23(13-14)16-6-11-22(12-7-16)18-19-8-2-9-20-18/h2,8-9,14-16H,1,3-7,10-13H2,(H,21,24)/t14-/m1/s1
InChIKeyKZOYALDZQVIWAV-CQSZACIVSA-N
XLogP1.44
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide
CID 56877941
(3R)-N-cyclopropyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 6557829
N-cyclopropyl-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 56865488
(3R)-N-cyclopropyl-1-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95532217
(3S)-N-cycloheptyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452540
N-cyclopropyl-1-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 56863023
(3S)-N-cyclopropyl-1-(1-quinoxalin-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 95550020
(3R)-N-cyclopropyl-1-[1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]piperidine-3-carboxamide
CID 95557835
(3R)-N-cyclopropyl-1-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 95548890
N-cyclopropyl-1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 56861783
N-(pyridin-3-ylmethyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 56868752
(3S)-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidin-3-ol
CID 39801992

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclopropyl-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-cyclopropyl-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-3-carboxamide (CID 95551990) is (3R)-N-cyclopropyl-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-cyclopropyl-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-cyclopropyl-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-3-carboxamide is O=C(NC1CC1)[C@@H]1CCCN(C2CCN(c3ncccn3)CC2)C1.
What is the InChIKey of (3R)-N-cyclopropyl-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-3-carboxamide?
The InChIKey is KZOYALDZQVIWAV-CQSZACIVSA-N. The full InChI is InChI=1S/C18H27N5O/c24-17(21-15-4-5-15)14-3-1-10-23(13-14)16-6-11-22(12-7-16)18-19-8-2-9-20-18/h2,8-9,14-16H,1,3-7,10-13H2,(H,21,24)/t14-/m1/s1.
What are the key properties of (3R)-N-cyclopropyl-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-3-carboxamide?
(3R)-N-cyclopropyl-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-3-carboxamide has a molecular weight of 329.45 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclopropyl-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 95551990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).