4-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]ethylamino]piperidine-4-carboxamide

C25H25Cl2N7O — CID 174499859

IUPAC4-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]ethylamino]piperidine-4-carboxamide
SMILESCC(NC1(C(N)=O)CCNCC1)c1ncnc2c1nc(-c1ccccc1Cl)n2-c1ccc(Cl)cc1
InChIInChI=1S/C25H25Cl2N7O/c1-15(33-25(24(28)35)10-12-29-13-11-25)20-21-23(31-14-30-20)34(17-8-6-16(26)7-9-17)22(32-21)18-4-2-3-5-19(18)27/h2-9,14-15,29,33H,10-13H2,1H3,(H2,28,35)
InChIKeyCGJWJDMHVNLMEN-UHFFFAOYSA-N
MW510.43 g/mol
LogP4.05
Rot. Bonds6

About 4-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]ethylamino]piperidine-4-carboxamide

4-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]ethylamino]piperidine-4-carboxamide (PubChem CID 174499859) has the molecular formula C25H25Cl2N7O and a molecular weight of 510.43 g/mol. Its IUPAC name is 4-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]ethylamino]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]ethylamino]piperidine-4-carboxamide
PubChem CID174499859
Molecular FormulaC25H25Cl2N7O
Molecular Weight510.43 g/mol
Exact Mass509.15
IUPAC Name4-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]ethylamino]piperidine-4-carboxamide
SMILESCC(NC1(C(N)=O)CCNCC1)c1ncnc2c1nc(-c1ccccc1Cl)n2-c1ccc(Cl)cc1
InChIInChI=1S/C25H25Cl2N7O/c1-15(33-25(24(28)35)10-12-29-13-11-25)20-21-23(31-14-30-20)34(17-8-6-16(26)7-9-17)22(32-21)18-4-2-3-5-19(18)27/h2-9,14-15,29,33H,10-13H2,1H3,(H2,28,35)
InChIKeyCGJWJDMHVNLMEN-UHFFFAOYSA-N
XLogP4.05
TPSA110.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.43
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-methylpiperidine-4-carboxamide
CID 143942385
1-[9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)purin-6-yl]-4-(propan-2-ylamino)piperidine-4-carboxamide
CID 58721773
1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-propylpiperidine-4-carboxamide
CID 58154389
1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-propylpiperidine-4-carboxamide;hydrochloride
CID 123899657
2-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-1-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one
CID 91082261
methyl 1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-(methylamino)piperidine-4-carboxylate
CID 58721700
N-[1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]-1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-(ethylamino)piperidine-4-carboxamide
CID 46174569
1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-phenylpiperidin-4-yl]-3-propan-2-ylurea
CID 71460979
1-[4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidin-1-yl]ethanone
CID 71714625
(3S)-3-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]-N-ethylpiperidine-1-carboxamide
CID 71459198
(4-nitrophenyl) N-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-methylpiperidin-4-yl]carbamate
CID 135156441
N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperazine-2-carboxamide
CID 46174573

Frequently Asked Questions

What is the IUPAC name of 4-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]ethylamino]piperidine-4-carboxamide?
The IUPAC name of 4-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]ethylamino]piperidine-4-carboxamide (CID 174499859) is 4-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]ethylamino]piperidine-4-carboxamide.
What is the SMILES notation for 4-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]ethylamino]piperidine-4-carboxamide?
The canonical SMILES for 4-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]ethylamino]piperidine-4-carboxamide is CC(NC1(C(N)=O)CCNCC1)c1ncnc2c1nc(-c1ccccc1Cl)n2-c1ccc(Cl)cc1.
What is the InChIKey of 4-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]ethylamino]piperidine-4-carboxamide?
The InChIKey is CGJWJDMHVNLMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Cl2N7O/c1-15(33-25(24(28)35)10-12-29-13-11-25)20-21-23(31-14-30-20)34(17-8-6-16(26)7-9-17)22(32-21)18-4-2-3-5-19(18)27/h2-9,14-15,29,33H,10-13H2,1H3,(H2,28,35).
What are the key properties of 4-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]ethylamino]piperidine-4-carboxamide?
4-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]ethylamino]piperidine-4-carboxamide has a molecular weight of 510.43 g/mol, XLogP of 4.05, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]ethylamino]piperidine-4-carboxamide is sourced from PubChem (CID 174499859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).