N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,2-dimethylpropanamide

C16H30N2O — CID 16895618

IUPACN-[(1-cyclopentylpiperidin-4-yl)methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H30N2O/c1-16(2,3)15(19)17-12-13-8-10-18(11-9-13)14-6-4-5-7-14/h13-14H,4-12H2,1-3H3,(H,17,19)
InChIKeyLGJQPGKFQRHTAV-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.80
Rot. Bonds3

About N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,2-dimethylpropanamide

N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,2-dimethylpropanamide (PubChem CID 16895618) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(1-cyclopentylpiperidin-4-yl)methyl]-2,2-dimethylpropanamide
PubChem CID16895618
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN-[(1-cyclopentylpiperidin-4-yl)methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H30N2O/c1-16(2,3)15(19)17-12-13-8-10-18(11-9-13)14-6-4-5-7-14/h13-14H,4-12H2,1-3H3,(H,17,19)
InChIKeyLGJQPGKFQRHTAV-UHFFFAOYSA-N
XLogP2.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[(1-cyclobutylpiperidin-4-yl)methyl]carbamate
CID 53256365
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-propan-2-yloxamide
CID 16886799
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(2-methylpropyl)oxamide
CID 16886802
N-[(1-cyclohexylpiperidin-4-yl)methyl]-2-methylpropan-2-amine
CID 63849814
1-(1-cyclopentylpiperidin-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]urea
CID 126777788
N-[2-[[N-(1-cyclohexylpiperidin-4-yl)-N'-methylcarbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 111998479
2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methylbutanamide
CID 79797487
(3S)-3-amino-4-[(1-cyclopentylpiperidin-4-yl)methylamino]-4-oxobutanoic acid
CID 131947489
2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide
CID 79797572
2-amino-N-(cyclopentylmethyl)-2-methylpropanamide
CID 61266758
N-[(1-cyclopentylpiperidin-4-yl)methyl]propan-2-amine
CID 63847367
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(3,5-dimethylphenyl)oxamide
CID 16886755

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,2-dimethylpropanamide (CID 16895618) is N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCC1CCN(C2CCCC2)CC1.
What is the InChIKey of N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,2-dimethylpropanamide?
The InChIKey is LGJQPGKFQRHTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-16(2,3)15(19)17-12-13-8-10-18(11-9-13)14-6-4-5-7-14/h13-14H,4-12H2,1-3H3,(H,17,19).
What are the key properties of N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,2-dimethylpropanamide?
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,2-dimethylpropanamide has a molecular weight of 266.43 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 16895618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).