N-(cyclopropylmethyl)-4-methyl-1-(1-methylsulfanylethyl)piperidine-4-carboxamide

C14H26N2OS — CID 134557431

IUPACN-(cyclopropylmethyl)-4-methyl-1-(1-methylsulfanylethyl)piperidine-4-carboxamide
SMILESCSC(C)N1CCC(C)(C(=O)NCC2CC2)CC1
InChIInChI=1S/C14H26N2OS/c1-11(18-3)16-8-6-14(2,7-9-16)13(17)15-10-12-4-5-12/h11-12H,4-10H2,1-3H3,(H,15,17)
InChIKeyFZIJWULYVFVJTE-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.32
Rot. Bonds5

About N-(cyclopropylmethyl)-4-methyl-1-(1-methylsulfanylethyl)piperidine-4-carboxamide

N-(cyclopropylmethyl)-4-methyl-1-(1-methylsulfanylethyl)piperidine-4-carboxamide (PubChem CID 134557431) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-methyl-1-(1-methylsulfanylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-methyl-1-(1-methylsulfanylethyl)piperidine-4-carboxamide
PubChem CID134557431
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC NameN-(cyclopropylmethyl)-4-methyl-1-(1-methylsulfanylethyl)piperidine-4-carboxamide
SMILESCSC(C)N1CCC(C)(C(=O)NCC2CC2)CC1
InChIInChI=1S/C14H26N2OS/c1-11(18-3)16-8-6-14(2,7-9-16)13(17)15-10-12-4-5-12/h11-12H,4-10H2,1-3H3,(H,15,17)
InChIKeyFZIJWULYVFVJTE-UHFFFAOYSA-N
XLogP2.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(oxan-4-ylmethyl)oxane-4-carboxamide
CID 171672707
N-[(4-hydroxycyclohexyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 114146551
N-(cyclopropylmethyl)-3-methylpyrrolidine-3-carboxamide
CID 63140909
1-methyl-N-(piperidin-4-ylmethyl)cyclopropane-1-carboxamide
CID 130163320
1-methyl-N-(piperidin-4-ylmethyl)cyclobutane-1-carboxamide
CID 166176335
1-methyl-N-[[1-[2-(propanoylamino)acetyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide
CID 131913752
N-(cyclohexylmethyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119672528
4-[[(3-methylpiperidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525938
1-[2-(cyclopropylmethylamino)acetyl]-4-methylpiperidine-4-carboxylic acid
CID 63123918
1-amino-N-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide
CID 65465788
N-benzyl-4-methyl-1-propan-2-ylpiperidine-4-carboxamide
CID 139362651
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-methyloxolane-3-carboxamide
CID 154738097

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-methyl-1-(1-methylsulfanylethyl)piperidine-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-4-methyl-1-(1-methylsulfanylethyl)piperidine-4-carboxamide (CID 134557431) is N-(cyclopropylmethyl)-4-methyl-1-(1-methylsulfanylethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-methyl-1-(1-methylsulfanylethyl)piperidine-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-methyl-1-(1-methylsulfanylethyl)piperidine-4-carboxamide is CSC(C)N1CCC(C)(C(=O)NCC2CC2)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-4-methyl-1-(1-methylsulfanylethyl)piperidine-4-carboxamide?
The InChIKey is FZIJWULYVFVJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-11(18-3)16-8-6-14(2,7-9-16)13(17)15-10-12-4-5-12/h11-12H,4-10H2,1-3H3,(H,15,17).
What are the key properties of N-(cyclopropylmethyl)-4-methyl-1-(1-methylsulfanylethyl)piperidine-4-carboxamide?
N-(cyclopropylmethyl)-4-methyl-1-(1-methylsulfanylethyl)piperidine-4-carboxamide has a molecular weight of 270.44 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-methyl-1-(1-methylsulfanylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 134557431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).