N-[(2R)-butan-2-yl]-5-[(3-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide

C24H32N4O2 — CID 1065110

IUPACN-[(2R)-butan-2-yl]-5-[(3-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
SMILESCC[C@@H](C)NC(=O)c1cc(NC(=O)Nc2cccc(C)c2)ccc1N1CCCCC1
InChIInChI=1S/C24H32N4O2/c1-4-18(3)25-23(29)21-16-20(11-12-22(21)28-13-6-5-7-14-28)27-24(30)26-19-10-8-9-17(2)15-19/h8-12,15-16,18H,4-7,13-14H2,1-3H3,(H,25,29)(H2,26,27,30)/t18-/m1/s1
InChIKeyWIHOVQDQSAPOKT-GOSISDBHSA-N
MW408.55 g/mol
LogP5.16
Rot. Bonds6

About N-[(2R)-butan-2-yl]-5-[(3-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide

N-[(2R)-butan-2-yl]-5-[(3-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide (PubChem CID 1065110) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-5-[(3-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-5-[(3-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
PubChem CID1065110
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC NameN-[(2R)-butan-2-yl]-5-[(3-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
SMILESCC[C@@H](C)NC(=O)c1cc(NC(=O)Nc2cccc(C)c2)ccc1N1CCCCC1
InChIInChI=1S/C24H32N4O2/c1-4-18(3)25-23(29)21-16-20(11-12-22(21)28-13-6-5-7-14-28)27-24(30)26-19-10-8-9-17(2)15-19/h8-12,15-16,18H,4-7,13-14H2,1-3H3,(H,25,29)(H2,26,27,30)/t18-/m1/s1
InChIKeyWIHOVQDQSAPOKT-GOSISDBHSA-N
XLogP5.16
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.55
LogP ≤ 55.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-butan-2-yl]-5-[(3-fluorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 1065117
N-[(2S)-butan-2-yl]-5-[(3-cyanophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 1065125
N-[(2R)-butan-2-yl]-5-[(2-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 1065146
N-[(2R)-butan-2-yl]-5-[(4-chlorophenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 1065276
N-butan-2-yl-5-[(4-ethylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 3707100
N-butan-2-yl-5-[(4-methoxyphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 42756297
N-butan-2-yl-5-[(2-methoxyphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 4992551
N-[(2R)-butan-2-yl]-5-(2,2-dimethylpropanoylamino)-2-piperidin-1-ylbenzamide
CID 7129874
5-(benzylcarbamoylamino)-N-[(2S)-butan-2-yl]-2-pyrrolidin-1-ylbenzamide
CID 1065281
N-butan-2-yl-5-(cyclohexanecarbonylamino)-2-pyrrolidin-1-ylbenzamide
CID 4036927
N-butan-2-yl-5-(cyclobutanecarbonylamino)-2-piperidin-1-ylbenzamide
CID 5238984
N-[(2S)-butan-2-yl]-5-[[(E)-3-phenylprop-2-enoyl]amino]-2-piperidin-1-ylbenzamide
CID 1054955

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-5-[(3-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide?
The IUPAC name of N-[(2R)-butan-2-yl]-5-[(3-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide (CID 1065110) is N-[(2R)-butan-2-yl]-5-[(3-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-5-[(3-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-5-[(3-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide is CC[C@@H](C)NC(=O)c1cc(NC(=O)Nc2cccc(C)c2)ccc1N1CCCCC1.
What is the InChIKey of N-[(2R)-butan-2-yl]-5-[(3-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide?
The InChIKey is WIHOVQDQSAPOKT-GOSISDBHSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-4-18(3)25-23(29)21-16-20(11-12-22(21)28-13-6-5-7-14-28)27-24(30)26-19-10-8-9-17(2)15-19/h8-12,15-16,18H,4-7,13-14H2,1-3H3,(H,25,29)(H2,26,27,30)/t18-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-5-[(3-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide?
N-[(2R)-butan-2-yl]-5-[(3-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide has a molecular weight of 408.55 g/mol, XLogP of 5.16, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-5-[(3-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 1065110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).