N-butan-2-yl-5-(cyclobutanecarbonylamino)-2-piperidin-1-ylbenzamide

C21H31N3O2 — CID 5238984

IUPACN-butan-2-yl-5-(cyclobutanecarbonylamino)-2-piperidin-1-ylbenzamide
SMILESCCC(C)NC(=O)c1cc(NC(=O)C2CCC2)ccc1N1CCCCC1
InChIInChI=1S/C21H31N3O2/c1-3-15(2)22-21(26)18-14-17(23-20(25)16-8-7-9-16)10-11-19(18)24-12-5-4-6-13-24/h10-11,14-16H,3-9,12-13H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyZIKBZTYRCXOOLG-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.94
Rot. Bonds6

About N-butan-2-yl-5-(cyclobutanecarbonylamino)-2-piperidin-1-ylbenzamide

N-butan-2-yl-5-(cyclobutanecarbonylamino)-2-piperidin-1-ylbenzamide (PubChem CID 5238984) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-butan-2-yl-5-(cyclobutanecarbonylamino)-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-butan-2-yl-5-(cyclobutanecarbonylamino)-2-piperidin-1-ylbenzamide
PubChem CID5238984
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC NameN-butan-2-yl-5-(cyclobutanecarbonylamino)-2-piperidin-1-ylbenzamide
SMILESCCC(C)NC(=O)c1cc(NC(=O)C2CCC2)ccc1N1CCCCC1
InChIInChI=1S/C21H31N3O2/c1-3-15(2)22-21(26)18-14-17(23-20(25)16-8-7-9-16)10-11-19(18)24-12-5-4-6-13-24/h10-11,14-16H,3-9,12-13H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyZIKBZTYRCXOOLG-UHFFFAOYSA-N
XLogP3.94
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.94
H-Bond Donors ≤ 52
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-(cyclohexanecarbonylamino)-2-pyrrolidin-1-ylbenzamide
CID 4036927
N-butan-2-yl-5-(cyclopropanecarbonylamino)-2-pyrrolidin-1-ylbenzamide
CID 42755696
N-[(2R)-butan-2-yl]-5-(2,2-dimethylpropanoylamino)-2-piperidin-1-ylbenzamide
CID 7129874
N-[(2S)-butan-2-yl]-5-(dimethylcarbamoylamino)-2-pyrrolidin-1-ylbenzamide
CID 771510
N-[(2R)-butan-2-yl]-5-[(4-chlorophenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 1065276
5-(cyclopentanecarbonylamino)-N-(1-phenylethyl)-2-pyrrolidin-1-ylbenzamide
CID 4302444
N-butan-2-yl-5-[(4-ethylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 3707100
N-[(2R)-butan-2-yl]-5-[(3-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 1065110
N-[(2R)-butan-2-yl]-5-[(4-ethylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 1059189
5-[(4-bromobenzoyl)amino]-N-butan-2-yl-2-pyrrolidin-1-ylbenzamide
CID 5219659
N-[(2S)-butan-2-yl]-5-[(4-tert-butylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 7356635
N-[(2R)-butan-2-yl]-5-[[(2R)-2-ethylhexanoyl]amino]-2-piperidin-1-ylbenzamide
CID 7230917

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-(cyclobutanecarbonylamino)-2-piperidin-1-ylbenzamide?
The IUPAC name of N-butan-2-yl-5-(cyclobutanecarbonylamino)-2-piperidin-1-ylbenzamide (CID 5238984) is N-butan-2-yl-5-(cyclobutanecarbonylamino)-2-piperidin-1-ylbenzamide.
What is the SMILES notation for N-butan-2-yl-5-(cyclobutanecarbonylamino)-2-piperidin-1-ylbenzamide?
The canonical SMILES for N-butan-2-yl-5-(cyclobutanecarbonylamino)-2-piperidin-1-ylbenzamide is CCC(C)NC(=O)c1cc(NC(=O)C2CCC2)ccc1N1CCCCC1.
What is the InChIKey of N-butan-2-yl-5-(cyclobutanecarbonylamino)-2-piperidin-1-ylbenzamide?
The InChIKey is ZIKBZTYRCXOOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-3-15(2)22-21(26)18-14-17(23-20(25)16-8-7-9-16)10-11-19(18)24-12-5-4-6-13-24/h10-11,14-16H,3-9,12-13H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of N-butan-2-yl-5-(cyclobutanecarbonylamino)-2-piperidin-1-ylbenzamide?
N-butan-2-yl-5-(cyclobutanecarbonylamino)-2-piperidin-1-ylbenzamide has a molecular weight of 357.50 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-(cyclobutanecarbonylamino)-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 5238984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).