N-benzyl-2-[(2R)-1-(2-cyclopentylacetyl)piperidin-2-yl]-4-methylpyrimidine-5-carboxamide

C25H32N4O2 — CID 92639588

IUPACN-benzyl-2-[(2R)-1-(2-cyclopentylacetyl)piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
SMILESCc1nc([C@H]2CCCCN2C(=O)CC2CCCC2)ncc1C(=O)NCc1ccccc1
InChIInChI=1S/C25H32N4O2/c1-18-21(25(31)27-16-20-11-3-2-4-12-20)17-26-24(28-18)22-13-7-8-14-29(22)23(30)15-19-9-5-6-10-19/h2-4,11-12,17,19,22H,5-10,13-16H2,1H3,(H,27,31)/t22-/m1/s1
InChIKeyOEHVFISGCDOOJS-JOCHJYFZSA-N
MW420.56 g/mol
LogP4.35
Rot. Bonds6

About N-benzyl-2-[(2R)-1-(2-cyclopentylacetyl)piperidin-2-yl]-4-methylpyrimidine-5-carboxamide

N-benzyl-2-[(2R)-1-(2-cyclopentylacetyl)piperidin-2-yl]-4-methylpyrimidine-5-carboxamide (PubChem CID 92639588) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-benzyl-2-[(2R)-1-(2-cyclopentylacetyl)piperidin-2-yl]-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-[(2R)-1-(2-cyclopentylacetyl)piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
PubChem CID92639588
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC NameN-benzyl-2-[(2R)-1-(2-cyclopentylacetyl)piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
SMILESCc1nc([C@H]2CCCCN2C(=O)CC2CCCC2)ncc1C(=O)NCc1ccccc1
InChIInChI=1S/C25H32N4O2/c1-18-21(25(31)27-16-20-11-3-2-4-12-20)17-26-24(28-18)22-13-7-8-14-29(22)23(30)15-19-9-5-6-10-19/h2-4,11-12,17,19,22H,5-10,13-16H2,1H3,(H,27,31)/t22-/m1/s1
InChIKeyOEHVFISGCDOOJS-JOCHJYFZSA-N
XLogP4.35
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-1-(2-cyclopentylacetyl)piperidin-2-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 92639602
N-benzyl-4-methyl-2-[(2S)-1-(2-phenylacetyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 92639623
2-(1-benzoylpiperidin-2-yl)-N-benzyl-4-methylpyrimidine-5-carboxamide
CID 110247749
N-benzyl-4-methyl-2-[(2R)-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-2-yl]pyrimidine-5-carboxamide
CID 92639592
N-benzyl-4-methyl-2-[(2S)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]pyrimidine-5-carboxamide
CID 92639580
N-benzyl-2-[(2R)-1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 92637069
N-benzyl-4-methyl-2-[(2S)-1-[2-(2-propan-2-ylimidazol-1-yl)acetyl]pyrrolidin-2-yl]pyrimidine-5-carboxamide
CID 92637119
N-[(3-methoxyphenyl)methyl]-4-methyl-2-[1-(3-methylbutanoyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 110247769
4-methyl-N-phenyl-2-[(2R)-1-(3-phenylpropanoyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 92637317
N-benzyl-2-[1-[(4-ethoxyphenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 175660224
2-[1-(2-methoxyacetyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 110247652
2-[(2S)-1-(2-methoxyacetyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637333

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(2R)-1-(2-cyclopentylacetyl)piperidin-2-yl]-4-methylpyrimidine-5-carboxamide?
The IUPAC name of N-benzyl-2-[(2R)-1-(2-cyclopentylacetyl)piperidin-2-yl]-4-methylpyrimidine-5-carboxamide (CID 92639588) is N-benzyl-2-[(2R)-1-(2-cyclopentylacetyl)piperidin-2-yl]-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-benzyl-2-[(2R)-1-(2-cyclopentylacetyl)piperidin-2-yl]-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-benzyl-2-[(2R)-1-(2-cyclopentylacetyl)piperidin-2-yl]-4-methylpyrimidine-5-carboxamide is Cc1nc([C@H]2CCCCN2C(=O)CC2CCCC2)ncc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(2R)-1-(2-cyclopentylacetyl)piperidin-2-yl]-4-methylpyrimidine-5-carboxamide?
The InChIKey is OEHVFISGCDOOJS-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-18-21(25(31)27-16-20-11-3-2-4-12-20)17-26-24(28-18)22-13-7-8-14-29(22)23(30)15-19-9-5-6-10-19/h2-4,11-12,17,19,22H,5-10,13-16H2,1H3,(H,27,31)/t22-/m1/s1.
What are the key properties of N-benzyl-2-[(2R)-1-(2-cyclopentylacetyl)piperidin-2-yl]-4-methylpyrimidine-5-carboxamide?
N-benzyl-2-[(2R)-1-(2-cyclopentylacetyl)piperidin-2-yl]-4-methylpyrimidine-5-carboxamide has a molecular weight of 420.56 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(2R)-1-(2-cyclopentylacetyl)piperidin-2-yl]-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 92639588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).