methyl 2-[methyl-[(3S)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carbonyl]amino]acetate

C23H28N4O3 — CID 42342396

IUPACmethyl 2-[methyl-[(3S)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carbonyl]amino]acetate
SMILESCOC(=O)CN(C)C(=O)[C@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1
InChIInChI=1S/C23H28N4O3/c1-26(15-20(28)30-2)23(29)17-10-7-13-27(14-17)22-18-11-6-12-19(18)24-21(25-22)16-8-4-3-5-9-16/h3-5,8-9,17H,6-7,10-15H2,1-2H3/t17-/m0/s1
InChIKeyWQAWCTJECJPAIY-KRWDZBQOSA-N
MW408.50 g/mol
LogP2.48
Rot. Bonds5

About methyl 2-[methyl-[(3S)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carbonyl]amino]acetate

methyl 2-[methyl-[(3S)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carbonyl]amino]acetate (PubChem CID 42342396) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is methyl 2-[methyl-[(3S)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-[(3S)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carbonyl]amino]acetate
PubChem CID42342396
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Namemethyl 2-[methyl-[(3S)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carbonyl]amino]acetate
SMILESCOC(=O)CN(C)C(=O)[C@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1
InChIInChI=1S/C23H28N4O3/c1-26(15-20(28)30-2)23(29)17-10-7-13-27(14-17)22-18-11-6-12-19(18)24-21(25-22)16-8-4-3-5-9-16/h3-5,8-9,17H,6-7,10-15H2,1-2H3/t17-/m0/s1
InChIKeyWQAWCTJECJPAIY-KRWDZBQOSA-N
XLogP2.48
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[methyl-[(3S)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carbonyl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-N-methyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-propan-2-ylpiperidine-3-carboxamide
CID 42382090
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
[1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 45229762
(3R)-N-(2-acetamidoethyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 25309373
N-(2-amino-2-oxoethyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 45227920
(3S)-N-(2-amino-2-oxoethyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 26317092
(3-hydroxyazetidin-1-yl)-[(3R)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]methanone
CID 95199077
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
N-(3-amino-3-oxopropyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 45223229
(3R)-N-(4-hydroxycyclohexyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 25365414
N,N-diethyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 42591308

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[(3S)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[methyl-[(3S)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carbonyl]amino]acetate (CID 42342396) is methyl 2-[methyl-[(3S)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[methyl-[(3S)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[methyl-[(3S)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carbonyl]amino]acetate is COC(=O)CN(C)C(=O)[C@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1.
What is the InChIKey of methyl 2-[methyl-[(3S)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carbonyl]amino]acetate?
The InChIKey is WQAWCTJECJPAIY-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-26(15-20(28)30-2)23(29)17-10-7-13-27(14-17)22-18-11-6-12-19(18)24-21(25-22)16-8-4-3-5-9-16/h3-5,8-9,17H,6-7,10-15H2,1-2H3/t17-/m0/s1.
What are the key properties of methyl 2-[methyl-[(3S)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carbonyl]amino]acetate?
methyl 2-[methyl-[(3S)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carbonyl]amino]acetate has a molecular weight of 408.50 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[(3S)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carbonyl]amino]acetate is sourced from PubChem (CID 42342396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).