(3R)-N-cyclopropyl-1-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide

C19H29N5O — CID 95532217

IUPAC(3R)-N-cyclopropyl-1-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESO=C(NC1CC1)[C@@H]1CCCN(C2CCN(Cc3ncccn3)CC2)C1
InChIInChI=1S/C19H29N5O/c25-19(22-16-4-5-16)15-3-1-10-24(13-15)17-6-11-23(12-7-17)14-18-20-8-2-9-21-18/h2,8-9,15-17H,1,3-7,10-14H2,(H,22,25)/t15-/m1/s1
InChIKeyUBKUMEZCPLPWGE-OAHLLOKOSA-N
MW343.48 g/mol
LogP1.43
Rot. Bonds5

About (3R)-N-cyclopropyl-1-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide

(3R)-N-cyclopropyl-1-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 95532217) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is (3R)-N-cyclopropyl-1-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-cyclopropyl-1-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
PubChem CID95532217
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name(3R)-N-cyclopropyl-1-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESO=C(NC1CC1)[C@@H]1CCCN(C2CCN(Cc3ncccn3)CC2)C1
InChIInChI=1S/C19H29N5O/c25-19(22-16-4-5-16)15-3-1-10-24(13-15)17-6-11-23(12-7-17)14-18-20-8-2-9-21-18/h2,8-9,15-17H,1,3-7,10-14H2,(H,22,25)/t15-/m1/s1
InChIKeyUBKUMEZCPLPWGE-OAHLLOKOSA-N
XLogP1.43
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-1-[1-(quinolin-5-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56739434
N-cyclopropyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 45172510
(3R)-N-cyclopropyl-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 95551990
(3R)-N-cyclopropyl-1-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide
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(3S)-N-cyclopropyl-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide
CID 25295064
(3R)-N-cyclopropyl-1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide
CID 29085751
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-piperidin-4-yl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95525314
(3S)-N-cyclopropyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 25298624
(3S)-1-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide
CID 95551898
(3R)-N-cyclopropyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclopropyl-1-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-cyclopropyl-1-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide (CID 95532217) is (3R)-N-cyclopropyl-1-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-cyclopropyl-1-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-cyclopropyl-1-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide is O=C(NC1CC1)[C@@H]1CCCN(C2CCN(Cc3ncccn3)CC2)C1.
What is the InChIKey of (3R)-N-cyclopropyl-1-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is UBKUMEZCPLPWGE-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H29N5O/c25-19(22-16-4-5-16)15-3-1-10-24(13-15)17-6-11-23(12-7-17)14-18-20-8-2-9-21-18/h2,8-9,15-17H,1,3-7,10-14H2,(H,22,25)/t15-/m1/s1.
What are the key properties of (3R)-N-cyclopropyl-1-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
(3R)-N-cyclopropyl-1-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 343.48 g/mol, XLogP of 1.43, 5 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-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 95532217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).