(3R)-N-cyclopropyl-1-[1-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide

C20H29N5O3 — CID 95230882

IUPAC(3R)-N-cyclopropyl-1-[1-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCc1ncc(C(=O)N2CCC(N3CCC[C@@H](C(=O)NC4CC4)C3)CC2)c(=O)[nH]1
InChIInChI=1S/C20H29N5O3/c1-13-21-11-17(19(27)22-13)20(28)24-9-6-16(7-10-24)25-8-2-3-14(12-25)18(26)23-15-4-5-15/h11,14-16H,2-10,12H2,1H3,(H,23,26)(H,21,22,27)/t14-/m1/s1
InChIKeyBEVWSFHWOIDNED-CQSZACIVSA-N
MW387.48 g/mol
LogP0.67
Rot. Bonds4

About (3R)-N-cyclopropyl-1-[1-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide

(3R)-N-cyclopropyl-1-[1-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 95230882) has the molecular formula C20H29N5O3 and a molecular weight of 387.48 g/mol. Its IUPAC name is (3R)-N-cyclopropyl-1-[1-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-cyclopropyl-1-[1-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
PubChem CID95230882
Molecular FormulaC20H29N5O3
Molecular Weight387.48 g/mol
Exact Mass387.23
IUPAC Name(3R)-N-cyclopropyl-1-[1-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCc1ncc(C(=O)N2CCC(N3CCC[C@@H](C(=O)NC4CC4)C3)CC2)c(=O)[nH]1
InChIInChI=1S/C20H29N5O3/c1-13-21-11-17(19(27)22-13)20(28)24-9-6-16(7-10-24)25-8-2-3-14(12-25)18(26)23-15-4-5-15/h11,14-16H,2-10,12H2,1H3,(H,23,26)(H,21,22,27)/t14-/m1/s1
InChIKeyBEVWSFHWOIDNED-CQSZACIVSA-N
XLogP0.67
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-N-cyclopropyl-1-[1-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(4aS*,8aR*)-6-[(2-cyclopropyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]-1-propyloctahydro-1,6-naphthyridin-2(1H)-one
CID 56885417
(6S)-2-cyclopentyl-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96375489
5-[(1,9-dimethyl-1,4,9-triazaspiro[5.5]undec-4-yl)carbonyl]-2-isopropylpyrimidin-4(3H)-one
CID 56742402
N-cyclopropyl-1'-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetyl]-1,4'-bipiperidine-3-carboxamide
CID 56869953
8-[(2-Cyclopropyl-6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one
CID 70736617
1'-methyl-N-[2-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)ethyl]-1,4'-bipiperidine-3-carboxamide
CID 136147228
N-cyclopropyl-1'-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]-1,4'-bipiperidine-3-carboxamide
CID 56760168
(4aS*,8aR*)-1-butyl-6-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]octahydro-1,6-naphthyridin-2(1H)-one
CID 56897289
2-cyclopropyl-5-{[4-(1-piperidinylcarbonyl)-1-piperidinyl]carbonyl}-4(3H)-pyrimidinone
CID 56902648
(4aS*,8aR*)-1-isobutyl-6-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]octahydro-1,6-naphthyridin-2(1H)-one
CID 56903942
5-{[3-(pyrrolidin-1-ylcarbonyl)-1,4'-bipiperidin-1'-yl]carbonyl}pyrimidin-4(3H)-one
CID 56918421
2-methyl-5-{[3-(pyrrolidin-1-ylcarbonyl)-1,4'-bipiperidin-1'-yl]carbonyl}pyrimidin-4(3H)-one
CID 70716004

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclopropyl-1-[1-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-cyclopropyl-1-[1-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide (CID 95230882) is (3R)-N-cyclopropyl-1-[1-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-cyclopropyl-1-[1-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-cyclopropyl-1-[1-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide is Cc1ncc(C(=O)N2CCC(N3CCC[C@@H](C(=O)NC4CC4)C3)CC2)c(=O)[nH]1.
What is the InChIKey of (3R)-N-cyclopropyl-1-[1-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is BEVWSFHWOIDNED-CQSZACIVSA-N. The full InChI is InChI=1S/C20H29N5O3/c1-13-21-11-17(19(27)22-13)20(28)24-9-6-16(7-10-24)25-8-2-3-14(12-25)18(26)23-15-4-5-15/h11,14-16H,2-10,12H2,1H3,(H,23,26)(H,21,22,27)/t14-/m1/s1.
What are the key properties of (3R)-N-cyclopropyl-1-[1-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide?
(3R)-N-cyclopropyl-1-[1-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclopropyl-1-[1-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 95230882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).