(3R)-N-[(4-chlorophenyl)methyl]-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide

C21H23ClN4O2 — CID 92866185

IUPAC(3R)-N-[(4-chlorophenyl)methyl]-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
SMILESCc1oc2ncnc(N3CCC[C@@H](C(=O)NCc4ccc(Cl)cc4)C3)c2c1C
InChIInChI=1S/C21H23ClN4O2/c1-13-14(2)28-21-18(13)19(24-12-25-21)26-9-3-4-16(11-26)20(27)23-10-15-5-7-17(22)8-6-15/h5-8,12,16H,3-4,9-11H2,1-2H3,(H,23,27)/t16-/m1/s1
InChIKeyAXVMVNOIKVFXKR-MRXNPFEDSA-N
MW398.89 g/mol
LogP4.03
Rot. Bonds4

About (3R)-N-[(4-chlorophenyl)methyl]-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide

(3R)-N-[(4-chlorophenyl)methyl]-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 92866185) has the molecular formula C21H23ClN4O2 and a molecular weight of 398.89 g/mol. Its IUPAC name is (3R)-N-[(4-chlorophenyl)methyl]-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(4-chlorophenyl)methyl]-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID92866185
Molecular FormulaC21H23ClN4O2
Molecular Weight398.89 g/mol
Exact Mass398.15
IUPAC Name(3R)-N-[(4-chlorophenyl)methyl]-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
SMILESCc1oc2ncnc(N3CCC[C@@H](C(=O)NCc4ccc(Cl)cc4)C3)c2c1C
InChIInChI=1S/C21H23ClN4O2/c1-13-14(2)28-21-18(13)19(24-12-25-21)26-9-3-4-16(11-26)20(27)23-10-15-5-7-17(22)8-6-15/h5-8,12,16H,3-4,9-11H2,1-2H3,(H,23,27)/t16-/m1/s1
InChIKeyAXVMVNOIKVFXKR-MRXNPFEDSA-N
XLogP4.03
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 92866288
1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[(4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide
CID 46290089
(3R)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[(4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide
CID 92866359
(3R)-N-[(4-chlorophenyl)methyl]-1-(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92745855
(3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 92866358
1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[(4-ethylphenyl)methyl]piperidine-4-carboxamide
CID 46289986
(3S)-N-cyclooctyl-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866194
(3R)-N-[(4-methoxyphenyl)methyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866465
(3R)-1-(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 92745865
(3R)-N-[2-(3,4-diethoxyphenyl)ethyl]-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866343
N-(2-chloro-4-fluorophenyl)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 46290069
(3R)-N-[(4-chlorophenyl)methyl]-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92745801

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(4-chlorophenyl)methyl]-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(4-chlorophenyl)methyl]-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide (CID 92866185) is (3R)-N-[(4-chlorophenyl)methyl]-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(4-chlorophenyl)methyl]-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(4-chlorophenyl)methyl]-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide is Cc1oc2ncnc(N3CCC[C@@H](C(=O)NCc4ccc(Cl)cc4)C3)c2c1C.
What is the InChIKey of (3R)-N-[(4-chlorophenyl)methyl]-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is AXVMVNOIKVFXKR-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H23ClN4O2/c1-13-14(2)28-21-18(13)19(24-12-25-21)26-9-3-4-16(11-26)20(27)23-10-15-5-7-17(22)8-6-15/h5-8,12,16H,3-4,9-11H2,1-2H3,(H,23,27)/t16-/m1/s1.
What are the key properties of (3R)-N-[(4-chlorophenyl)methyl]-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
(3R)-N-[(4-chlorophenyl)methyl]-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 398.89 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(4-chlorophenyl)methyl]-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 92866185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).