(3R)-N-(1,2-oxazol-3-ylmethyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide

C23H25N5O2 — CID 95202699

IUPAC(3R)-N-(1,2-oxazol-3-ylmethyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide
SMILESO=C(NCc1ccon1)[C@@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1
InChIInChI=1S/C23H25N5O2/c29-23(24-14-18-11-13-30-27-18)17-8-5-12-28(15-17)22-19-9-4-10-20(19)25-21(26-22)16-6-2-1-3-7-16/h1-3,6-7,11,13,17H,4-5,8-10,12,14-15H2,(H,24,29)/t17-/m1/s1
InChIKeyKZCOQRJNKWZKNS-QGZVFWFLSA-N
MW403.49 g/mol
LogP3.15
Rot. Bonds5

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

(3R)-N-(1,2-oxazol-3-ylmethyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 95202699) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is (3R)-N-(1,2-oxazol-3-ylmethyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(1,2-oxazol-3-ylmethyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID95202699
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name(3R)-N-(1,2-oxazol-3-ylmethyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide
SMILESO=C(NCc1ccon1)[C@@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1
InChIInChI=1S/C23H25N5O2/c29-23(24-14-18-11-13-30-27-18)17-8-5-12-28(15-17)22-19-9-4-10-20(19)25-21(26-22)16-6-2-1-3-7-16/h1-3,6-7,11,13,17H,4-5,8-10,12,14-15H2,(H,24,29)/t17-/m1/s1
InChIKeyKZCOQRJNKWZKNS-QGZVFWFLSA-N
XLogP3.15
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 25384493
(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
(3R)-N-(2-acetamidoethyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 25309373
N-(3-amino-3-oxopropyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 45223229
(3S)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide
CID 95207946
1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide
CID 56708032
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
(3R)-N-(4-hydroxycyclohexyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 25365414
[1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 45229762
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

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(1,2-oxazol-3-ylmethyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(1,2-oxazol-3-ylmethyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide (CID 95202699) is (3R)-N-(1,2-oxazol-3-ylmethyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(1,2-oxazol-3-ylmethyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(1,2-oxazol-3-ylmethyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide is O=C(NCc1ccon1)[C@@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1.
What is the InChIKey of (3R)-N-(1,2-oxazol-3-ylmethyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is KZCOQRJNKWZKNS-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H25N5O2/c29-23(24-14-18-11-13-30-27-18)17-8-5-12-28(15-17)22-19-9-4-10-20(19)25-21(26-22)16-6-2-1-3-7-16/h1-3,6-7,11,13,17H,4-5,8-10,12,14-15H2,(H,24,29)/t17-/m1/s1.
What are the key properties of (3R)-N-(1,2-oxazol-3-ylmethyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide?
(3R)-N-(1,2-oxazol-3-ylmethyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(1,2-oxazol-3-ylmethyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 95202699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).