(3R)-N-benzyl-1-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)piperidine-3-carboxamide

C20H24N6O3 — CID 41032215

IUPAC(3R)-N-benzyl-1-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)piperidine-3-carboxamide
SMILESCn1c(=O)c2[nH]c(N3CCC[C@@H](C(=O)NCc4ccccc4)C3)nc2n(C)c1=O
InChIInChI=1S/C20H24N6O3/c1-24-16-15(18(28)25(2)20(24)29)22-19(23-16)26-10-6-9-14(12-26)17(27)21-11-13-7-4-3-5-8-13/h3-5,7-8,14H,6,9-12H2,1-2H3,(H,21,27)(H,22,23)/t14-/m1/s1
InChIKeyHVJNPTDMKCEWSA-CQSZACIVSA-N
MW396.45 g/mol
LogP0.49
Rot. Bonds4

About (3R)-N-benzyl-1-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)piperidine-3-carboxamide

(3R)-N-benzyl-1-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)piperidine-3-carboxamide (PubChem CID 41032215) has the molecular formula C20H24N6O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is (3R)-N-benzyl-1-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-benzyl-1-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)piperidine-3-carboxamide
PubChem CID41032215
Molecular FormulaC20H24N6O3
Molecular Weight396.45 g/mol
Exact Mass396.19
IUPAC Name(3R)-N-benzyl-1-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)piperidine-3-carboxamide
SMILESCn1c(=O)c2[nH]c(N3CCC[C@@H](C(=O)NCc4ccccc4)C3)nc2n(C)c1=O
InChIInChI=1S/C20H24N6O3/c1-24-16-15(18(28)25(2)20(24)29)22-19(23-16)26-10-6-9-14(12-26)17(27)21-11-13-7-4-3-5-8-13/h3-5,7-8,14H,6,9-12H2,1-2H3,(H,21,27)(H,22,23)/t14-/m1/s1
InChIKeyHVJNPTDMKCEWSA-CQSZACIVSA-N
XLogP0.49
TPSA105.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-1-(1H-benzimidazol-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 92876810
(3S)-N-benzyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide
CID 95086004
1-(1,3-benzoxazol-2-yl)-N-benzylpiperidine-3-carboxamide
CID 3622789
(3R)-N-[(3-bromophenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide
CID 92889225
(3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 95086065
(3R)-1-(4-ethyl-3-oxoquinoxalin-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 30454609
N-(cyclopropylmethyl)-1-(4-oxo-3H-quinazolin-2-yl)piperidine-3-carboxamide
CID 137264290
1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 50781424
N-benzyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 53033911
(3S)-1-(1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 92876805
(3R)-N-[(4-chlorophenyl)methyl]-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide
CID 95086121
(3R)-1-(1H-benzimidazol-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 92876760

Frequently Asked Questions

What is the IUPAC name of (3R)-N-benzyl-1-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-benzyl-1-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)piperidine-3-carboxamide (CID 41032215) is (3R)-N-benzyl-1-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-benzyl-1-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-benzyl-1-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)piperidine-3-carboxamide is Cn1c(=O)c2[nH]c(N3CCC[C@@H](C(=O)NCc4ccccc4)C3)nc2n(C)c1=O.
What is the InChIKey of (3R)-N-benzyl-1-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)piperidine-3-carboxamide?
The InChIKey is HVJNPTDMKCEWSA-CQSZACIVSA-N. The full InChI is InChI=1S/C20H24N6O3/c1-24-16-15(18(28)25(2)20(24)29)22-19(23-16)26-10-6-9-14(12-26)17(27)21-11-13-7-4-3-5-8-13/h3-5,7-8,14H,6,9-12H2,1-2H3,(H,21,27)(H,22,23)/t14-/m1/s1.
What are the key properties of (3R)-N-benzyl-1-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)piperidine-3-carboxamide?
(3R)-N-benzyl-1-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)piperidine-3-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-benzyl-1-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)piperidine-3-carboxamide is sourced from PubChem (CID 41032215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).