N,3-dimethyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]butanamide

C16H32N2O — CID 171540237

IUPACN,3-dimethyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]butanamide
SMILESCC(C)CC(=O)N(C)CC1CCN(CC(C)C)CC1
InChIInChI=1S/C16H32N2O/c1-13(2)10-16(19)17(5)12-15-6-8-18(9-7-15)11-14(3)4/h13-15H,6-12H2,1-5H3
InChIKeyPKIJMTPBCZYQQQ-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.86
Rot. Bonds6

About N,3-dimethyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]butanamide

N,3-dimethyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]butanamide (PubChem CID 171540237) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N,3-dimethyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]butanamide.

Molecular Properties

Compound NameN,3-dimethyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]butanamide
PubChem CID171540237
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN,3-dimethyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]butanamide
SMILESCC(C)CC(=O)N(C)CC1CCN(CC(C)C)CC1
InChIInChI=1S/C16H32N2O/c1-13(2)10-16(19)17(5)12-15-6-8-18(9-7-15)11-14(3)4/h13-15H,6-12H2,1-5H3
InChIKeyPKIJMTPBCZYQQQ-UHFFFAOYSA-N
XLogP2.86
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;N-[(1-ethylpiperidin-4-yl)methyl]-N-methylpropanamide
CID 163401097
[1-(2-methylpropyl)piperidin-4-yl]methyl 3-methylbutanoate
CID 176612204
ethane;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide
CID 155739583
4-amino-N,3-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide
CID 81079366
N,N-dimethyl-1-(2-methylpropyl)piperidine-4-carboxamide
CID 59603411
3-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]butan-2-one
CID 153390625
3-amino-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylbutanamide;dihydrochloride
CID 120503814
N-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-pyrazin-2-ylpropanamide
CID 118784045
3-amino-N-(cyclohexylmethyl)-N-methylbutanamide
CID 60963947
2-(3-chloro-4-hydroxyphenyl)-N-methyl-N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]acetamide
CID 99974471
2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]propan-1-one
CID 176724060
3-methoxy-N-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]cyclobutan-1-amine
CID 166035375

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]butanamide?
The IUPAC name of N,3-dimethyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]butanamide (CID 171540237) is N,3-dimethyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]butanamide.
What is the SMILES notation for N,3-dimethyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]butanamide?
The canonical SMILES for N,3-dimethyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]butanamide is CC(C)CC(=O)N(C)CC1CCN(CC(C)C)CC1.
What is the InChIKey of N,3-dimethyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]butanamide?
The InChIKey is PKIJMTPBCZYQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-13(2)10-16(19)17(5)12-15-6-8-18(9-7-15)11-14(3)4/h13-15H,6-12H2,1-5H3.
What are the key properties of N,3-dimethyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]butanamide?
N,3-dimethyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]butanamide has a molecular weight of 268.44 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]butanamide is sourced from PubChem (CID 171540237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).