5-(cyclobutanecarbonylamino)-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide

C21H31N3O3 — CID 3994769

IUPAC5-(cyclobutanecarbonylamino)-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
SMILESCOCCCNC(=O)c1cc(NC(=O)C2CCC2)ccc1N1CCCCC1
InChIInChI=1S/C21H31N3O3/c1-27-14-6-11-22-21(26)18-15-17(23-20(25)16-7-5-8-16)9-10-19(18)24-12-3-2-4-13-24/h9-10,15-16H,2-8,11-14H2,1H3,(H,22,26)(H,23,25)
InChIKeyNDHSZJCBGBWYML-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.18
Rot. Bonds8

About 5-(cyclobutanecarbonylamino)-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide

5-(cyclobutanecarbonylamino)-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide (PubChem CID 3994769) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 5-(cyclobutanecarbonylamino)-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name5-(cyclobutanecarbonylamino)-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
PubChem CID3994769
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name5-(cyclobutanecarbonylamino)-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
SMILESCOCCCNC(=O)c1cc(NC(=O)C2CCC2)ccc1N1CCCCC1
InChIInChI=1S/C21H31N3O3/c1-27-14-6-11-22-21(26)18-15-17(23-20(25)16-7-5-8-16)9-10-19(18)24-12-3-2-4-13-24/h9-10,15-16H,2-8,11-14H2,1H3,(H,22,26)(H,23,25)
InChIKeyNDHSZJCBGBWYML-UHFFFAOYSA-N
XLogP3.18
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.18
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-(cyclobutanecarbonylamino)-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 42752967
5-acetamido-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 3470167
5-(cyclobutanecarbonylamino)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 42757193
5-(cyclohexanecarbonylamino)-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide
CID 42757060
5-(cyclopropanecarbonylamino)-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide
CID 42757061
5-[(4-chlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 4012992
5-(3,3-dimethylbutanoylamino)-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 5106369
5-(cyclopropanecarbonylamino)-N-[3-(dimethylamino)propyl]-2-pyrrolidin-1-ylbenzamide
CID 42757301
N-(3-methoxypropyl)-5-(pentanoylamino)-2-pyrrolidin-1-ylbenzamide
CID 5149607
N-(3-ethoxypropyl)-5-[(2-methoxyacetyl)amino]-2-piperidin-1-ylbenzamide
CID 3313832
5-(hexanoylamino)-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 3930160
5-[(3,5-dimethoxyphenyl)carbamoylamino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 42661960

Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutanecarbonylamino)-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide?
The IUPAC name of 5-(cyclobutanecarbonylamino)-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide (CID 3994769) is 5-(cyclobutanecarbonylamino)-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide.
What is the SMILES notation for 5-(cyclobutanecarbonylamino)-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide?
The canonical SMILES for 5-(cyclobutanecarbonylamino)-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide is COCCCNC(=O)c1cc(NC(=O)C2CCC2)ccc1N1CCCCC1.
What is the InChIKey of 5-(cyclobutanecarbonylamino)-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide?
The InChIKey is NDHSZJCBGBWYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-27-14-6-11-22-21(26)18-15-17(23-20(25)16-7-5-8-16)9-10-19(18)24-12-3-2-4-13-24/h9-10,15-16H,2-8,11-14H2,1H3,(H,22,26)(H,23,25).
What are the key properties of 5-(cyclobutanecarbonylamino)-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide?
5-(cyclobutanecarbonylamino)-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide has a molecular weight of 373.50 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutanecarbonylamino)-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 3994769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).