N-(cyclopropylmethyl)-2-methyl-3-piperidin-4-ylbenzamide

C17H24N2O — CID 171362054

IUPACN-(cyclopropylmethyl)-2-methyl-3-piperidin-4-ylbenzamide
SMILESCc1c(C(=O)NCC2CC2)cccc1C1CCNCC1
InChIInChI=1S/C17H24N2O/c1-12-15(14-7-9-18-10-8-14)3-2-4-16(12)17(20)19-11-13-5-6-13/h2-4,13-14,18H,5-11H2,1H3,(H,19,20)
InChIKeyQOFIUKRWGWMLKF-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.60
Rot. Bonds4

About N-(cyclopropylmethyl)-2-methyl-3-piperidin-4-ylbenzamide

N-(cyclopropylmethyl)-2-methyl-3-piperidin-4-ylbenzamide (PubChem CID 171362054) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-methyl-3-piperidin-4-ylbenzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-methyl-3-piperidin-4-ylbenzamide
PubChem CID171362054
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-(cyclopropylmethyl)-2-methyl-3-piperidin-4-ylbenzamide
SMILESCc1c(C(=O)NCC2CC2)cccc1C1CCNCC1
InChIInChI=1S/C17H24N2O/c1-12-15(14-7-9-18-10-8-14)3-2-4-16(12)17(20)19-11-13-5-6-13/h2-4,13-14,18H,5-11H2,1H3,(H,19,20)
InChIKeyQOFIUKRWGWMLKF-UHFFFAOYSA-N
XLogP2.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-methyl-3-piperidin-4-ylbenzamide;hydrochloride
CID 171362043
3-hydroxy-2-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 82829222
N,N,2-trimethyl-3-piperidin-4-ylbenzamide;hydrochloride
CID 171362069
N-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbenzamide
CID 106123854
N-(cyclopropylmethyl)-5-piperidin-4-ylnaphthalene-2-carboxamide
CID 171396916
N-(cyclohexylmethyl)-3-hydroxy-2-methylbenzamide
CID 82826551
3-bromo-N-[(4-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 114146596
3-chloro-2-fluoro-N-(pyrrolidin-3-ylmethyl)benzamide
CID 81267075
(2-methyl-3-piperidin-4-ylphenyl)-morpholin-4-ylmethanone
CID 171362080
N-(cyclopropylmethyl)-3,4-difluoro-5-piperidin-4-ylbenzamide;hydrochloride
CID 172648880
4-methoxy-2,3-dimethyl-N-(pyrrolidin-3-ylmethyl)benzamide
CID 115271837
N-hexyl-2-piperidin-4-ylbenzamide
CID 170456896

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-methyl-3-piperidin-4-ylbenzamide?
The IUPAC name of N-(cyclopropylmethyl)-2-methyl-3-piperidin-4-ylbenzamide (CID 171362054) is N-(cyclopropylmethyl)-2-methyl-3-piperidin-4-ylbenzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-methyl-3-piperidin-4-ylbenzamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-methyl-3-piperidin-4-ylbenzamide is Cc1c(C(=O)NCC2CC2)cccc1C1CCNCC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-methyl-3-piperidin-4-ylbenzamide?
The InChIKey is QOFIUKRWGWMLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12-15(14-7-9-18-10-8-14)3-2-4-16(12)17(20)19-11-13-5-6-13/h2-4,13-14,18H,5-11H2,1H3,(H,19,20).
What are the key properties of N-(cyclopropylmethyl)-2-methyl-3-piperidin-4-ylbenzamide?
N-(cyclopropylmethyl)-2-methyl-3-piperidin-4-ylbenzamide has a molecular weight of 272.39 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-methyl-3-piperidin-4-ylbenzamide is sourced from PubChem (CID 171362054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).