5-[(4-chlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide

C23H29ClN4O3 — CID 4012992

IUPAC5-[(4-chlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
SMILESCOCCCNC(=O)c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1N1CCCCC1
InChIInChI=1S/C23H29ClN4O3/c1-31-15-5-12-25-22(29)20-16-19(10-11-21(20)28-13-3-2-4-14-28)27-23(30)26-18-8-6-17(24)7-9-18/h6-11,16H,2-5,12-15H2,1H3,(H,25,29)(H2,26,27,30)
InChIKeyNGIOMJYELJUXNK-UHFFFAOYSA-N
MW444.96 g/mol
LogP4.74
Rot. Bonds8

About 5-[(4-chlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide

5-[(4-chlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide (PubChem CID 4012992) has the molecular formula C23H29ClN4O3 and a molecular weight of 444.96 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name5-[(4-chlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
PubChem CID4012992
Molecular FormulaC23H29ClN4O3
Molecular Weight444.96 g/mol
Exact Mass444.19
IUPAC Name5-[(4-chlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
SMILESCOCCCNC(=O)c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1N1CCCCC1
InChIInChI=1S/C23H29ClN4O3/c1-31-15-5-12-25-22(29)20-16-19(10-11-21(20)28-13-3-2-4-14-28)27-23(30)26-18-8-6-17(24)7-9-18/h6-11,16H,2-5,12-15H2,1H3,(H,25,29)(H2,26,27,30)
InChIKeyNGIOMJYELJUXNK-UHFFFAOYSA-N
XLogP4.74
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.96
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 3260050
5-[(3-chlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 42661949
5-acetamido-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 3470167
5-[(3,5-dimethoxyphenyl)carbamoylamino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 42661960
5-[(2-ethylphenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 4990355
5-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 42661850
N-(2-methoxyethyl)-5-[(4-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 3588490
N-(2-methoxyethyl)-5-[(4-methylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 42756347
3-[[5-[(3,4-dichlorophenyl)carbamoylamino]-2-piperidin-1-ylbenzoyl]amino]propyl hypochlorite
CID 143368272
5-(cyclobutanecarbonylamino)-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 3994769
N-(2-methoxyethyl)-5-[(4-propan-2-ylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 42756351
5-[(3-chloro-4-methylphenyl)carbamoylamino]-N-(3-ethoxypropyl)-2-piperidin-1-ylbenzamide
CID 3895731

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide?
The IUPAC name of 5-[(4-chlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide (CID 4012992) is 5-[(4-chlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide.
What is the SMILES notation for 5-[(4-chlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide?
The canonical SMILES for 5-[(4-chlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide is COCCCNC(=O)c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1N1CCCCC1.
What is the InChIKey of 5-[(4-chlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide?
The InChIKey is NGIOMJYELJUXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4O3/c1-31-15-5-12-25-22(29)20-16-19(10-11-21(20)28-13-3-2-4-14-28)27-23(30)26-18-8-6-17(24)7-9-18/h6-11,16H,2-5,12-15H2,1H3,(H,25,29)(H2,26,27,30).
What are the key properties of 5-[(4-chlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide?
5-[(4-chlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide has a molecular weight of 444.96 g/mol, XLogP of 4.74, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 4012992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).