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

C26H28N4O — CID 24817512

IUPACN-benzyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1
InChIInChI=1S/C26H28N4O/c31-26(27-18-19-8-3-1-4-9-19)21-14-16-30(17-15-21)25-22-12-7-13-23(22)28-24(29-25)20-10-5-2-6-11-20/h1-6,8-11,21H,7,12-18H2,(H,27,31)
InChIKeyJTLCHGXZJIGMLX-UHFFFAOYSA-N
MW412.54 g/mol
LogP4.17
Rot. Bonds5

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

N-benzyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 24817512) has the molecular formula C26H28N4O and a molecular weight of 412.54 g/mol. Its IUPAC name is N-benzyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID24817512
Molecular FormulaC26H28N4O
Molecular Weight412.54 g/mol
Exact Mass412.23
IUPAC NameN-benzyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1
InChIInChI=1S/C26H28N4O/c31-26(27-18-19-8-3-1-4-9-19)21-14-16-30(17-15-21)25-22-12-7-13-23(22)28-24(29-25)20-10-5-2-6-11-20/h1-6,8-11,21H,7,12-18H2,(H,27,31)
InChIKeyJTLCHGXZJIGMLX-UHFFFAOYSA-N
XLogP4.17
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide (CID 24817512) is N-benzyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide is O=C(NCc1ccccc1)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1.
What is the InChIKey of N-benzyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is JTLCHGXZJIGMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O/c31-26(27-18-19-8-3-1-4-9-19)21-14-16-30(17-15-21)25-22-12-7-13-23(22)28-24(29-25)20-10-5-2-6-11-20/h1-6,8-11,21H,7,12-18H2,(H,27,31).
What are the key properties of N-benzyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide?
N-benzyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 412.54 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 24817512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).