5-(cyclopropanecarbonylamino)-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide

C21H32N4O2 — CID 42757061

IUPAC5-(cyclopropanecarbonylamino)-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide
SMILESCN(C)CCCNC(=O)c1cc(NC(=O)C2CC2)ccc1N1CCCCC1
InChIInChI=1S/C21H32N4O2/c1-24(2)12-6-11-22-21(27)18-15-17(23-20(26)16-7-8-16)9-10-19(18)25-13-4-3-5-14-25/h9-10,15-16H,3-8,11-14H2,1-2H3,(H,22,27)(H,23,26)
InChIKeyXGHKOYZYBKPPOR-UHFFFAOYSA-N
MW372.51 g/mol
LogP2.71
Rot. Bonds8

About 5-(cyclopropanecarbonylamino)-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide

5-(cyclopropanecarbonylamino)-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide (PubChem CID 42757061) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide
PubChem CID42757061
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name5-(cyclopropanecarbonylamino)-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide
SMILESCN(C)CCCNC(=O)c1cc(NC(=O)C2CC2)ccc1N1CCCCC1
InChIInChI=1S/C21H32N4O2/c1-24(2)12-6-11-22-21(27)18-15-17(23-20(26)16-7-8-16)9-10-19(18)25-13-4-3-5-14-25/h9-10,15-16H,3-8,11-14H2,1-2H3,(H,22,27)(H,23,26)
InChIKeyXGHKOYZYBKPPOR-UHFFFAOYSA-N
XLogP2.71
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.71
H-Bond Donors ≤ 52
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-(cyclopropanecarbonylamino)-N-[3-(dimethylamino)propyl]-2-pyrrolidin-1-ylbenzamide
CID 42757301
5-(cyclohexanecarbonylamino)-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide
CID 42757060
5-acetamido-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide
CID 42757059
5-(cyclopropanecarbonylamino)-N-[2-(diethylamino)ethyl]-2-pyrrolidin-1-ylbenzamide
CID 42756085
5-(cyclobutanecarbonylamino)-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 3994769
N-[3-[3-(dimethylamino)propylcarbamoyl]-4-piperidin-1-ylphenyl]furan-2-carboxamide
CID 42757063
N-[3-(dimethylamino)propyl]-5-[(3-fluorobenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 42757303
5-[(4-butoxybenzoyl)amino]-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide
CID 3612260
5-(cyclobutanecarbonylamino)-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 42752967
5-(cyclopropanecarbonylamino)-N,N-diethyl-2-pyrrolidin-1-ylbenzamide
CID 771581
5-(cyclopropanecarbonylamino)-N-[[(2S)-oxolan-2-yl]methyl]-2-piperidin-1-ylbenzamide
CID 1055088
5-(cyclopropanecarbonylamino)-N-[[(2R)-oxolan-2-yl]methyl]-2-piperidin-1-ylbenzamide
CID 1055087

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide (CID 42757061) is 5-(cyclopropanecarbonylamino)-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide is CN(C)CCCNC(=O)c1cc(NC(=O)C2CC2)ccc1N1CCCCC1.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide?
The InChIKey is XGHKOYZYBKPPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-24(2)12-6-11-22-21(27)18-15-17(23-20(26)16-7-8-16)9-10-19(18)25-13-4-3-5-14-25/h9-10,15-16H,3-8,11-14H2,1-2H3,(H,22,27)(H,23,26).
What are the key properties of 5-(cyclopropanecarbonylamino)-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide?
5-(cyclopropanecarbonylamino)-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide has a molecular weight of 372.51 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 42757061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).