4-[2-(dimethylamino)ethyl]-N-[(1S)-2,2-dimethylcyclopentyl]piperidine-1-carboxamide

C17H33N3O — CID 164642735

IUPAC4-[2-(dimethylamino)ethyl]-N-[(1S)-2,2-dimethylcyclopentyl]piperidine-1-carboxamide
SMILESCN(C)CCC1CCN(C(=O)N[C@H]2CCCC2(C)C)CC1
InChIInChI=1S/C17H33N3O/c1-17(2)10-5-6-15(17)18-16(21)20-12-8-14(9-13-20)7-11-19(3)4/h14-15H,5-13H2,1-4H3,(H,18,21)/t15-/m0/s1
InChIKeyQOZNUVONWFANIW-HNNXBMFYSA-N
MW295.47 g/mol
LogP2.94
Rot. Bonds4

About 4-[2-(dimethylamino)ethyl]-N-[(1S)-2,2-dimethylcyclopentyl]piperidine-1-carboxamide

4-[2-(dimethylamino)ethyl]-N-[(1S)-2,2-dimethylcyclopentyl]piperidine-1-carboxamide (PubChem CID 164642735) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl]-N-[(1S)-2,2-dimethylcyclopentyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl]-N-[(1S)-2,2-dimethylcyclopentyl]piperidine-1-carboxamide
PubChem CID164642735
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name4-[2-(dimethylamino)ethyl]-N-[(1S)-2,2-dimethylcyclopentyl]piperidine-1-carboxamide
SMILESCN(C)CCC1CCN(C(=O)N[C@H]2CCCC2(C)C)CC1
InChIInChI=1S/C17H33N3O/c1-17(2)10-5-6-15(17)18-16(21)20-12-8-14(9-13-20)7-11-19(3)4/h14-15H,5-13H2,1-4H3,(H,18,21)/t15-/m0/s1
InChIKeyQOZNUVONWFANIW-HNNXBMFYSA-N
XLogP2.94
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-dimethylcyclopentyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111841157
1-[(2,2-dimethylcyclopentyl)carbamoyl]piperidine-4-carboxylic acid
CID 79877781
2-[4-[(2,2-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]acetic acid
CID 79878279
N-(2,2-dimethylcyclohexyl)morpholine-4-carboxamide
CID 113255358
2-[4-[(2,2-dimethylcyclohexyl)carbamoyl]piperazin-1-yl]acetic acid
CID 79870364
3-(2,2-dimethylcyclopentyl)-1,1-dimethylurea
CID 115680560
2-[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82765070
3-[1-[(2,2-dimethylcyclopentyl)carbamoyl]piperidin-2-yl]propanoic acid
CID 79872070
N-(2,2-dimethylcyclopentyl)-2,2-dimethylpropanamide
CID 79872163
(3S,4S)-1-[(2,2-dimethylcyclohexyl)carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122006288
3-[(2,2-dimethylcyclopentyl)amino]-3-oxopropanoic acid
CID 79873237
2-chloro-N-(2,2-dimethylcyclopentyl)acetamide
CID 79872044

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl]-N-[(1S)-2,2-dimethylcyclopentyl]piperidine-1-carboxamide?
The IUPAC name of 4-[2-(dimethylamino)ethyl]-N-[(1S)-2,2-dimethylcyclopentyl]piperidine-1-carboxamide (CID 164642735) is 4-[2-(dimethylamino)ethyl]-N-[(1S)-2,2-dimethylcyclopentyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl]-N-[(1S)-2,2-dimethylcyclopentyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[2-(dimethylamino)ethyl]-N-[(1S)-2,2-dimethylcyclopentyl]piperidine-1-carboxamide is CN(C)CCC1CCN(C(=O)N[C@H]2CCCC2(C)C)CC1.
What is the InChIKey of 4-[2-(dimethylamino)ethyl]-N-[(1S)-2,2-dimethylcyclopentyl]piperidine-1-carboxamide?
The InChIKey is QOZNUVONWFANIW-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-17(2)10-5-6-15(17)18-16(21)20-12-8-14(9-13-20)7-11-19(3)4/h14-15H,5-13H2,1-4H3,(H,18,21)/t15-/m0/s1.
What are the key properties of 4-[2-(dimethylamino)ethyl]-N-[(1S)-2,2-dimethylcyclopentyl]piperidine-1-carboxamide?
4-[2-(dimethylamino)ethyl]-N-[(1S)-2,2-dimethylcyclopentyl]piperidine-1-carboxamide has a molecular weight of 295.47 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl]-N-[(1S)-2,2-dimethylcyclopentyl]piperidine-1-carboxamide is sourced from PubChem (CID 164642735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).