N-[(2R)-butan-2-yl]-5-(2,2-dimethylpropanoylamino)-2-piperidin-1-ylbenzamide

C21H33N3O2 — CID 7129874

IUPACN-[(2R)-butan-2-yl]-5-(2,2-dimethylpropanoylamino)-2-piperidin-1-ylbenzamide
SMILESCC[C@@H](C)NC(=O)c1cc(NC(=O)C(C)(C)C)ccc1N1CCCCC1
InChIInChI=1S/C21H33N3O2/c1-6-15(2)22-19(25)17-14-16(23-20(26)21(3,4)5)10-11-18(17)24-12-8-7-9-13-24/h10-11,14-15H,6-9,12-13H2,1-5H3,(H,22,25)(H,23,26)/t15-/m1/s1
InChIKeySLZJHEFHEORODU-OAHLLOKOSA-N
MW359.51 g/mol
LogP4.19
Rot. Bonds5

About N-[(2R)-butan-2-yl]-5-(2,2-dimethylpropanoylamino)-2-piperidin-1-ylbenzamide

N-[(2R)-butan-2-yl]-5-(2,2-dimethylpropanoylamino)-2-piperidin-1-ylbenzamide (PubChem CID 7129874) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-5-(2,2-dimethylpropanoylamino)-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-5-(2,2-dimethylpropanoylamino)-2-piperidin-1-ylbenzamide
PubChem CID7129874
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC NameN-[(2R)-butan-2-yl]-5-(2,2-dimethylpropanoylamino)-2-piperidin-1-ylbenzamide
SMILESCC[C@@H](C)NC(=O)c1cc(NC(=O)C(C)(C)C)ccc1N1CCCCC1
InChIInChI=1S/C21H33N3O2/c1-6-15(2)22-19(25)17-14-16(23-20(26)21(3,4)5)10-11-18(17)24-12-8-7-9-13-24/h10-11,14-15H,6-9,12-13H2,1-5H3,(H,22,25)(H,23,26)/t15-/m1/s1
InChIKeySLZJHEFHEORODU-OAHLLOKOSA-N
XLogP4.19
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 54.19
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-[(2S)-butan-2-yl]-5-[(4-tert-butylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 7356635
5-(2,2-dimethylpropanoylamino)-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide
CID 4302250
N-butan-2-yl-5-(cyclobutanecarbonylamino)-2-piperidin-1-ylbenzamide
CID 5238984
N-butan-2-yl-5-(cyclohexanecarbonylamino)-2-pyrrolidin-1-ylbenzamide
CID 4036927
N-[(2S)-butan-2-yl]-5-(dimethylcarbamoylamino)-2-pyrrolidin-1-ylbenzamide
CID 771510
N-butan-2-yl-5-(cyclopropanecarbonylamino)-2-pyrrolidin-1-ylbenzamide
CID 42755696
N-[(2R)-butan-2-yl]-5-[(4-chlorophenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 1065276
N-[(2R)-butan-2-yl]-5-[[(2R)-2-ethylhexanoyl]amino]-2-piperidin-1-ylbenzamide
CID 7230917
N-butan-2-yl-5-[(4-ethylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 3707100
N-butan-2-yl-5-(2-ethylhexanoylamino)-2-pyrrolidin-1-ylbenzamide
CID 5204390
N-[(2R)-butan-2-yl]-5-[(3-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 1065110
5-[(4-bromobenzoyl)amino]-N-butan-2-yl-2-pyrrolidin-1-ylbenzamide
CID 5219659

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-5-(2,2-dimethylpropanoylamino)-2-piperidin-1-ylbenzamide?
The IUPAC name of N-[(2R)-butan-2-yl]-5-(2,2-dimethylpropanoylamino)-2-piperidin-1-ylbenzamide (CID 7129874) is N-[(2R)-butan-2-yl]-5-(2,2-dimethylpropanoylamino)-2-piperidin-1-ylbenzamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-5-(2,2-dimethylpropanoylamino)-2-piperidin-1-ylbenzamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-5-(2,2-dimethylpropanoylamino)-2-piperidin-1-ylbenzamide is CC[C@@H](C)NC(=O)c1cc(NC(=O)C(C)(C)C)ccc1N1CCCCC1.
What is the InChIKey of N-[(2R)-butan-2-yl]-5-(2,2-dimethylpropanoylamino)-2-piperidin-1-ylbenzamide?
The InChIKey is SLZJHEFHEORODU-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-6-15(2)22-19(25)17-14-16(23-20(26)21(3,4)5)10-11-18(17)24-12-8-7-9-13-24/h10-11,14-15H,6-9,12-13H2,1-5H3,(H,22,25)(H,23,26)/t15-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-5-(2,2-dimethylpropanoylamino)-2-piperidin-1-ylbenzamide?
N-[(2R)-butan-2-yl]-5-(2,2-dimethylpropanoylamino)-2-piperidin-1-ylbenzamide has a molecular weight of 359.51 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-5-(2,2-dimethylpropanoylamino)-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 7129874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).