(4-piperidin-1-ylphenyl)-[3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone

C23H29N5O — CID 110241512

IUPAC(4-piperidin-1-ylphenyl)-[3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(N2CCCCC2)cc1)N1CCC(c2ncc3c(n2)CCNC3)C1
InChIInChI=1S/C23H29N5O/c29-23(17-4-6-20(7-5-17)27-11-2-1-3-12-27)28-13-9-18(16-28)22-25-15-19-14-24-10-8-21(19)26-22/h4-7,15,18,24H,1-3,8-14,16H2
InChIKeyDUYCTPKEHMLNBR-UHFFFAOYSA-N
MW391.52 g/mol
LogP2.74
Rot. Bonds3

About (4-piperidin-1-ylphenyl)-[3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone

(4-piperidin-1-ylphenyl)-[3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 110241512) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is (4-piperidin-1-ylphenyl)-[3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-piperidin-1-ylphenyl)-[3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone
PubChem CID110241512
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name(4-piperidin-1-ylphenyl)-[3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(N2CCCCC2)cc1)N1CCC(c2ncc3c(n2)CCNC3)C1
InChIInChI=1S/C23H29N5O/c29-23(17-4-6-20(7-5-17)27-11-2-1-3-12-27)28-13-9-18(16-28)22-25-15-19-14-24-10-8-21(19)26-22/h4-7,15,18,24H,1-3,8-14,16H2
InChIKeyDUYCTPKEHMLNBR-UHFFFAOYSA-N
XLogP2.74
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-piperidin-1-ylphenyl)-[3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone 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

2,2-diphenyl-1-[(3R)-3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 92574289
2-(4-methylphenyl)-1-[3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 110241505
[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-[(3S)-3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone
CID 92584750
2-cyclopentyl-1-[3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]ethanone
CID 110241151
1-[(3S)-3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]butan-1-one
CID 92586468
2-cyclopentyl-1-[(3S)-3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]ethanone
CID 92567837
(2,5-dimethoxyphenyl)-[(3S)-3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone
CID 92594485
(2,4-dimethoxyphenyl)-[3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone
CID 110241136
2-(2-ethylbenzimidazol-1-yl)-1-[(3S)-3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 92589272
2-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 115039114
2-phenyl-1-[3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one
CID 110241149
(2,4-dimethoxyphenyl)-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone
CID 92594720

Frequently Asked Questions

What is the IUPAC name of (4-piperidin-1-ylphenyl)-[3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-piperidin-1-ylphenyl)-[3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone (CID 110241512) is (4-piperidin-1-ylphenyl)-[3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-piperidin-1-ylphenyl)-[3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-piperidin-1-ylphenyl)-[3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone is O=C(c1ccc(N2CCCCC2)cc1)N1CCC(c2ncc3c(n2)CCNC3)C1.
What is the InChIKey of (4-piperidin-1-ylphenyl)-[3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is DUYCTPKEHMLNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c29-23(17-4-6-20(7-5-17)27-11-2-1-3-12-27)28-13-9-18(16-28)22-25-15-19-14-24-10-8-21(19)26-22/h4-7,15,18,24H,1-3,8-14,16H2.
What are the key properties of (4-piperidin-1-ylphenyl)-[3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone?
(4-piperidin-1-ylphenyl)-[3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 391.52 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-piperidin-1-ylphenyl)-[3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110241512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).