2,2-dimethyl-N-(piperidin-4-ylmethyl)-N-propylcyclopentane-1-carboxamide

C17H32N2O — CID 107180947

IUPAC2,2-dimethyl-N-(piperidin-4-ylmethyl)-N-propylcyclopentane-1-carboxamide
SMILESCCCN(CC1CCNCC1)C(=O)C1CCCC1(C)C
InChIInChI=1S/C17H32N2O/c1-4-12-19(13-14-7-10-18-11-8-14)16(20)15-6-5-9-17(15,2)3/h14-15,18H,4-13H2,1-3H3
InChIKeyJKGUVCLRKCULOG-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.05
Rot. Bonds5

About 2,2-dimethyl-N-(piperidin-4-ylmethyl)-N-propylcyclopentane-1-carboxamide

2,2-dimethyl-N-(piperidin-4-ylmethyl)-N-propylcyclopentane-1-carboxamide (PubChem CID 107180947) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 2,2-dimethyl-N-(piperidin-4-ylmethyl)-N-propylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(piperidin-4-ylmethyl)-N-propylcyclopentane-1-carboxamide
PubChem CID107180947
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name2,2-dimethyl-N-(piperidin-4-ylmethyl)-N-propylcyclopentane-1-carboxamide
SMILESCCCN(CC1CCNCC1)C(=O)C1CCCC1(C)C
InChIInChI=1S/C17H32N2O/c1-4-12-19(13-14-7-10-18-11-8-14)16(20)15-6-5-9-17(15,2)3/h14-15,18H,4-13H2,1-3H3
InChIKeyJKGUVCLRKCULOG-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(piperidin-4-ylmethyl)-N-propylcyclooctanecarboxamide
CID 79702518
N-(cyanomethyl)-2,2-dimethyl-N-propylcyclopentane-1-carboxamide
CID 104917287
N-(cyclopropylmethyl)-2,2-dimethyl-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide
CID 107181136
N,2,2-trimethyl-N-(2-piperidin-4-ylethyl)cyclohexane-1-carboxamide
CID 107176802
N-(cyanomethyl)-2,2-dimethyl-N-propylcyclohexane-1-carboxamide
CID 107178551
5-oxo-N-(piperidin-4-ylmethyl)-N-propylpyrrolidine-2-carboxamide
CID 79721070
2-ethyl-N-(piperidin-4-ylmethyl)-N-propylbutanamide
CID 79721437
2,2-dichloro-N-(cyclopropylmethyl)-N-propylcyclopropane-1-carboxamide
CID 78836724
N-(cyclopropylmethyl)-3-piperidin-4-yl-N-propylpropanamide
CID 62211914
3-cyclopropyl-1-(piperidin-4-ylmethyl)-1-propylurea
CID 79721029
N-ethyl-2,2,3,3-tetramethyl-N-(piperidin-4-ylmethyl)cyclopropane-1-carboxamide
CID 79720902
N-(cyclopropylmethyl)-3-methyl-N-propylpyrrolidine-3-carboxamide
CID 63138956

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(piperidin-4-ylmethyl)-N-propylcyclopentane-1-carboxamide?
The IUPAC name of 2,2-dimethyl-N-(piperidin-4-ylmethyl)-N-propylcyclopentane-1-carboxamide (CID 107180947) is 2,2-dimethyl-N-(piperidin-4-ylmethyl)-N-propylcyclopentane-1-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N-(piperidin-4-ylmethyl)-N-propylcyclopentane-1-carboxamide?
The canonical SMILES for 2,2-dimethyl-N-(piperidin-4-ylmethyl)-N-propylcyclopentane-1-carboxamide is CCCN(CC1CCNCC1)C(=O)C1CCCC1(C)C.
What is the InChIKey of 2,2-dimethyl-N-(piperidin-4-ylmethyl)-N-propylcyclopentane-1-carboxamide?
The InChIKey is JKGUVCLRKCULOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-4-12-19(13-14-7-10-18-11-8-14)16(20)15-6-5-9-17(15,2)3/h14-15,18H,4-13H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-(piperidin-4-ylmethyl)-N-propylcyclopentane-1-carboxamide?
2,2-dimethyl-N-(piperidin-4-ylmethyl)-N-propylcyclopentane-1-carboxamide has a molecular weight of 280.46 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(piperidin-4-ylmethyl)-N-propylcyclopentane-1-carboxamide is sourced from PubChem (CID 107180947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).