N-benzyl-5-[(2-methoxyphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide

C27H30N4O3 — CID 1066972

IUPACN-benzyl-5-[(2-methoxyphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
SMILESCOc1ccccc1NC(=O)Nc1ccc(N2CCCCC2)c(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C27H30N4O3/c1-34-25-13-7-6-12-23(25)30-27(33)29-21-14-15-24(31-16-8-3-9-17-31)22(18-21)26(32)28-19-20-10-4-2-5-11-20/h2,4-7,10-15,18H,3,8-9,16-17,19H2,1H3,(H,28,32)(H2,29,30,33)
InChIKeyZSSJGGKWAMDTRF-UHFFFAOYSA-N
MW458.56 g/mol
LogP5.26
Rot. Bonds7

About N-benzyl-5-[(2-methoxyphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide

N-benzyl-5-[(2-methoxyphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide (PubChem CID 1066972) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is N-benzyl-5-[(2-methoxyphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-benzyl-5-[(2-methoxyphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
PubChem CID1066972
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC NameN-benzyl-5-[(2-methoxyphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
SMILESCOc1ccccc1NC(=O)Nc1ccc(N2CCCCC2)c(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C27H30N4O3/c1-34-25-13-7-6-12-23(25)30-27(33)29-21-14-15-24(31-16-8-3-9-17-31)22(18-21)26(32)28-19-20-10-4-2-5-11-20/h2,4-7,10-15,18H,3,8-9,16-17,19H2,1H3,(H,28,32)(H2,29,30,33)
InChIKeyZSSJGGKWAMDTRF-UHFFFAOYSA-N
XLogP5.26
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.56
LogP ≤ 55.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-5-[(3-methoxyphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 1054769
N-benzyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(naphthalen-1-ylcarbamoylamino)benzamide
CID 42660161
N-benzyl-5-[(2,3-dichlorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 42661807
N-butan-2-yl-5-[(2-methoxyphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 4992551
5-[(2,4-dimethoxyphenyl)carbamoylamino]-N-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 1065631
N-benzyl-5-[(4-ethylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 1054766
N-(3-ethoxypropyl)-5-[(2-methoxyphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 3883995
5-[(2,4-dimethoxyphenyl)carbamoylamino]-N-(2-phenylethyl)-2-pyrrolidin-1-ylbenzamide
CID 1065465
N-benzyl-5-(2-methylpropanoylamino)-2-piperidin-1-ylbenzamide
CID 1065967
2-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)-5-[(2-methoxyphenyl)carbamoylamino]benzamide
CID 3893161
N-benzyl-5-[(4-cyanophenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 42660178
N-benzyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(2-methylpropanoylamino)benzamide
CID 4687386

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[(2-methoxyphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide?
The IUPAC name of N-benzyl-5-[(2-methoxyphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide (CID 1066972) is N-benzyl-5-[(2-methoxyphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide.
What is the SMILES notation for N-benzyl-5-[(2-methoxyphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide?
The canonical SMILES for N-benzyl-5-[(2-methoxyphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide is COc1ccccc1NC(=O)Nc1ccc(N2CCCCC2)c(C(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-5-[(2-methoxyphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide?
The InChIKey is ZSSJGGKWAMDTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-34-25-13-7-6-12-23(25)30-27(33)29-21-14-15-24(31-16-8-3-9-17-31)22(18-21)26(32)28-19-20-10-4-2-5-11-20/h2,4-7,10-15,18H,3,8-9,16-17,19H2,1H3,(H,28,32)(H2,29,30,33).
What are the key properties of N-benzyl-5-[(2-methoxyphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide?
N-benzyl-5-[(2-methoxyphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide has a molecular weight of 458.56 g/mol, XLogP of 5.26, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[(2-methoxyphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 1066972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).