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

C23H30N4O — CID 42591308

IUPACN,N-diethyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1
InChIInChI=1S/C23H30N4O/c1-3-26(4-2)23(28)18-13-15-27(16-14-18)22-19-11-8-12-20(19)24-21(25-22)17-9-6-5-7-10-17/h5-7,9-10,18H,3-4,8,11-16H2,1-2H3
InChIKeyIXBIUWDEPYKPHP-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.72
Rot. Bonds5

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

N,N-diethyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 42591308) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is N,N-diethyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID42591308
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC NameN,N-diethyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1
InChIInChI=1S/C23H30N4O/c1-3-26(4-2)23(28)18-13-15-27(16-14-18)22-19-11-8-12-20(19)24-21(25-22)17-9-6-5-7-10-17/h5-7,9-10,18H,3-4,8,11-16H2,1-2H3
InChIKeyIXBIUWDEPYKPHP-UHFFFAOYSA-N
XLogP3.72
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N,N-diethyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide (CID 42591308) is N,N-diethyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N,N-diethyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N,N-diethyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide is CCN(CC)C(=O)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1.
What is the InChIKey of N,N-diethyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is IXBIUWDEPYKPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-3-26(4-2)23(28)18-13-15-27(16-14-18)22-19-11-8-12-20(19)24-21(25-22)17-9-6-5-7-10-17/h5-7,9-10,18H,3-4,8,11-16H2,1-2H3.
What are the key properties of N,N-diethyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide?
N,N-diethyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 42591308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).