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

C24H30N4O2 — CID 95202487

IUPACN-[[(3R)-oxolan-3-yl]methyl]-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESO=C(NC[C@H]1CCOC1)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1
InChIInChI=1S/C24H30N4O2/c29-24(25-15-17-11-14-30-16-17)19-9-12-28(13-10-19)23-20-7-4-8-21(20)26-22(27-23)18-5-2-1-3-6-18/h1-3,5-6,17,19H,4,7-16H2,(H,25,29)/t17-/m1/s1
InChIKeyVDRNHSIRKUQULV-QGZVFWFLSA-N
MW406.53 g/mol
LogP3.00
Rot. Bonds5

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

N-[[(3R)-oxolan-3-yl]methyl]-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 95202487) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[[(3R)-oxolan-3-yl]methyl]-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-oxolan-3-yl]methyl]-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID95202487
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC NameN-[[(3R)-oxolan-3-yl]methyl]-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESO=C(NC[C@H]1CCOC1)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1
InChIInChI=1S/C24H30N4O2/c29-24(25-15-17-11-14-30-16-17)19-9-12-28(13-10-19)23-20-7-4-8-21(20)26-22(27-23)18-5-2-1-3-6-18/h1-3,5-6,17,19H,4,7-16H2,(H,25,29)/t17-/m1/s1
InChIKeyVDRNHSIRKUQULV-QGZVFWFLSA-N
XLogP3.00
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(3R)-oxolan-3-yl]methyl]-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-oxolan-3-yl]methyl]-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-[[(3R)-oxolan-3-yl]methyl]-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide (CID 95202487) is N-[[(3R)-oxolan-3-yl]methyl]-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[[(3R)-oxolan-3-yl]methyl]-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[[(3R)-oxolan-3-yl]methyl]-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide is O=C(NC[C@H]1CCOC1)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1.
What is the InChIKey of N-[[(3R)-oxolan-3-yl]methyl]-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is VDRNHSIRKUQULV-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H30N4O2/c29-24(25-15-17-11-14-30-16-17)19-9-12-28(13-10-19)23-20-7-4-8-21(20)26-22(27-23)18-5-2-1-3-6-18/h1-3,5-6,17,19H,4,7-16H2,(H,25,29)/t17-/m1/s1.
What are the key properties of N-[[(3R)-oxolan-3-yl]methyl]-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide?
N-[[(3R)-oxolan-3-yl]methyl]-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-oxolan-3-yl]methyl]-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 95202487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).