(3R)-N-methyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-propan-2-ylpiperidine-3-carboxamide

C23H30N4O — CID 42382090

IUPAC(3R)-N-methyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)N(C)C(=O)[C@@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1
InChIInChI=1S/C23H30N4O/c1-16(2)26(3)23(28)18-11-8-14-27(15-18)22-19-12-7-13-20(19)24-21(25-22)17-9-5-4-6-10-17/h4-6,9-10,16,18H,7-8,11-15H2,1-3H3/t18-/m1/s1
InChIKeyIISAOTNNJOVIRC-GOSISDBHSA-N
MW378.52 g/mol
LogP3.72
Rot. Bonds4

About (3R)-N-methyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-propan-2-ylpiperidine-3-carboxamide

(3R)-N-methyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-propan-2-ylpiperidine-3-carboxamide (PubChem CID 42382090) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is (3R)-N-methyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-methyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-propan-2-ylpiperidine-3-carboxamide
PubChem CID42382090
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name(3R)-N-methyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)N(C)C(=O)[C@@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1
InChIInChI=1S/C23H30N4O/c1-16(2)26(3)23(28)18-11-8-14-27(15-18)22-19-12-7-13-20(19)24-21(25-22)17-9-5-4-6-10-17/h4-6,9-10,16,18H,7-8,11-15H2,1-3H3/t18-/m1/s1
InChIKeyIISAOTNNJOVIRC-GOSISDBHSA-N
XLogP3.72
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

methyl 2-[methyl-[(3S)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carbonyl]amino]acetate
CID 42342396
[1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 45229762
N-[2-(dimethylamino)ethyl]-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 56716004
(3S)-N-[2-(dimethylamino)ethyl]-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 95213249
(3-hydroxyazetidin-1-yl)-[(3R)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]methanone
CID 95199077
(3R)-N-(2-acetamidoethyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 25309373
N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 56702583
(3R)-N-(4-hydroxycyclohexyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 25365414
(3S)-N-(2-amino-2-oxoethyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 26317092
N-(2-amino-2-oxoethyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 45227920
1,4-diazepan-1-yl-[(3S)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]methanone
CID 95219225
N-(3-amino-3-oxopropyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 45223229

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-methyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-propan-2-ylpiperidine-3-carboxamide (CID 42382090) is (3R)-N-methyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-methyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-methyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-propan-2-ylpiperidine-3-carboxamide is CC(C)N(C)C(=O)[C@@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1.
What is the InChIKey of (3R)-N-methyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is IISAOTNNJOVIRC-GOSISDBHSA-N. The full InChI is InChI=1S/C23H30N4O/c1-16(2)26(3)23(28)18-11-8-14-27(15-18)22-19-12-7-13-20(19)24-21(25-22)17-9-5-4-6-10-17/h4-6,9-10,16,18H,7-8,11-15H2,1-3H3/t18-/m1/s1.
What are the key properties of (3R)-N-methyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-propan-2-ylpiperidine-3-carboxamide?
(3R)-N-methyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 42382090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).