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

C24H32N4O2 — CID 1065146

IUPACN-[(2R)-butan-2-yl]-5-[(2-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
SMILESCC[C@@H](C)NC(=O)c1cc(NC(=O)Nc2ccccc2C)ccc1N1CCCCC1
InChIInChI=1S/C24H32N4O2/c1-4-18(3)25-23(29)20-16-19(12-13-22(20)28-14-8-5-9-15-28)26-24(30)27-21-11-7-6-10-17(21)2/h6-7,10-13,16,18H,4-5,8-9,14-15H2,1-3H3,(H,25,29)(H2,26,27,30)/t18-/m1/s1
InChIKeyNJERNDPVSXTHGV-GOSISDBHSA-N
MW408.55 g/mol
LogP5.16
Rot. Bonds6

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

N-[(2R)-butan-2-yl]-5-[(2-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide (PubChem CID 1065146) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-5-[(2-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-5-[(2-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
PubChem CID1065146
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC NameN-[(2R)-butan-2-yl]-5-[(2-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
SMILESCC[C@@H](C)NC(=O)c1cc(NC(=O)Nc2ccccc2C)ccc1N1CCCCC1
InChIInChI=1S/C24H32N4O2/c1-4-18(3)25-23(29)20-16-19(12-13-22(20)28-14-8-5-9-15-28)26-24(30)27-21-11-7-6-10-17(21)2/h6-7,10-13,16,18H,4-5,8-9,14-15H2,1-3H3,(H,25,29)(H2,26,27,30)/t18-/m1/s1
InChIKeyNJERNDPVSXTHGV-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-butan-2-yl-5-[(2-methoxyphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 4992551
N-[(2R)-butan-2-yl]-5-[(3-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 1065110
N-[(2R)-butan-2-yl]-5-[(4-chlorophenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 1065276
N-[(2S)-butan-2-yl]-5-[(3-fluorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 1065117
N-butan-2-yl-5-[(4-ethylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 3707100
N-[(2S)-butan-2-yl]-5-[(3-cyanophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 1065125
5-(benzylcarbamoylamino)-N-[(2S)-butan-2-yl]-2-pyrrolidin-1-ylbenzamide
CID 1065281
N-butan-2-yl-5-[(4-methoxyphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 42756297
N,N-diethyl-5-[(2-methylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 1067210
N-butan-2-yl-5-[(2-methoxyphenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 4042669
N-[(2R)-butan-2-yl]-5-(2,2-dimethylpropanoylamino)-2-piperidin-1-ylbenzamide
CID 7129874
5-[(2,4-dimethylphenyl)carbamoylamino]-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide
CID 4544278

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-5-[(2-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide?
The IUPAC name of N-[(2R)-butan-2-yl]-5-[(2-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide (CID 1065146) is N-[(2R)-butan-2-yl]-5-[(2-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-5-[(2-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-5-[(2-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide is CC[C@@H](C)NC(=O)c1cc(NC(=O)Nc2ccccc2C)ccc1N1CCCCC1.
What is the InChIKey of N-[(2R)-butan-2-yl]-5-[(2-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide?
The InChIKey is NJERNDPVSXTHGV-GOSISDBHSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-4-18(3)25-23(29)20-16-19(12-13-22(20)28-14-8-5-9-15-28)26-24(30)27-21-11-7-6-10-17(21)2/h6-7,10-13,16,18H,4-5,8-9,14-15H2,1-3H3,(H,25,29)(H2,26,27,30)/t18-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-5-[(2-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide?
N-[(2R)-butan-2-yl]-5-[(2-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-[(2-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 1065146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).