N-(3-methylbutan-2-yl)-4-(piperidin-1-ylmethyl)benzamide

C18H28N2O — CID 133249904

IUPACN-(3-methylbutan-2-yl)-4-(piperidin-1-ylmethyl)benzamide
SMILESCC(C)C(C)NC(=O)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C18H28N2O/c1-14(2)15(3)19-18(21)17-9-7-16(8-10-17)13-20-11-5-4-6-12-20/h7-10,14-15H,4-6,11-13H2,1-3H3,(H,19,21)
InChIKeyJHQDKDMQLDRIKF-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.45
Rot. Bonds5

About N-(3-methylbutan-2-yl)-4-(piperidin-1-ylmethyl)benzamide

N-(3-methylbutan-2-yl)-4-(piperidin-1-ylmethyl)benzamide (PubChem CID 133249904) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-4-(piperidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-4-(piperidin-1-ylmethyl)benzamide
PubChem CID133249904
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-(3-methylbutan-2-yl)-4-(piperidin-1-ylmethyl)benzamide
SMILESCC(C)C(C)NC(=O)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C18H28N2O/c1-14(2)15(3)19-18(21)17-9-7-16(8-10-17)13-20-11-5-4-6-12-20/h7-10,14-15H,4-6,11-13H2,1-3H3,(H,19,21)
InChIKeyJHQDKDMQLDRIKF-UHFFFAOYSA-N
XLogP3.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylbutan-2-yl)-4-(morpholin-4-ylmethyl)benzamide
CID 133244954
N-(3-methylbutan-2-yl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 133249994
N-[(2R)-3-methylbutan-2-yl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 100568254
N-[(2S)-4-phenylbutan-2-yl]-4-(piperidin-1-ylmethyl)benzamide
CID 41453775
4-(azepan-1-ylmethyl)-N-[(1S)-1-(4-methylphenyl)propyl]benzamide
CID 94024816
4-(azepan-1-ylmethyl)-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]benzamide
CID 94013585
2-[[4-(azepan-1-ylmethyl)benzoyl]amino]butanedioic acid
CID 119062464
N-[(1S)-1-(3,4-difluorophenyl)ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 25493079
4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 100565556
4-(piperidin-1-ylmethyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24654968
N-[1-(4-methoxyphenyl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 53281706
4-(azepan-1-ylmethyl)-N-propylbenzamide
CID 43924202

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-4-(piperidin-1-ylmethyl)benzamide?
The IUPAC name of N-(3-methylbutan-2-yl)-4-(piperidin-1-ylmethyl)benzamide (CID 133249904) is N-(3-methylbutan-2-yl)-4-(piperidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)-4-(piperidin-1-ylmethyl)benzamide?
The canonical SMILES for N-(3-methylbutan-2-yl)-4-(piperidin-1-ylmethyl)benzamide is CC(C)C(C)NC(=O)c1ccc(CN2CCCCC2)cc1.
What is the InChIKey of N-(3-methylbutan-2-yl)-4-(piperidin-1-ylmethyl)benzamide?
The InChIKey is JHQDKDMQLDRIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14(2)15(3)19-18(21)17-9-7-16(8-10-17)13-20-11-5-4-6-12-20/h7-10,14-15H,4-6,11-13H2,1-3H3,(H,19,21).
What are the key properties of N-(3-methylbutan-2-yl)-4-(piperidin-1-ylmethyl)benzamide?
N-(3-methylbutan-2-yl)-4-(piperidin-1-ylmethyl)benzamide has a molecular weight of 288.44 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-4-(piperidin-1-ylmethyl)benzamide is sourced from PubChem (CID 133249904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).