2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-pentan-3-ylpropanamide

C17H33N3O — CID 81494901

IUPAC2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C17H33N3O/c1-4-15(5-2)19-17(21)13(3)20-10-8-16(9-11-20)18-12-14-6-7-14/h13-16,18H,4-12H2,1-3H3,(H,19,21)
InChIKeyIWYGECWPKOEYQA-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.14
Rot. Bonds8

About 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-pentan-3-ylpropanamide

2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-pentan-3-ylpropanamide (PubChem CID 81494901) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-pentan-3-ylpropanamide
PubChem CID81494901
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C17H33N3O/c1-4-15(5-2)19-17(21)13(3)20-10-8-16(9-11-20)18-12-14-6-7-14/h13-16,18H,4-12H2,1-3H3,(H,19,21)
InChIKeyIWYGECWPKOEYQA-UHFFFAOYSA-N
XLogP2.14
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-pentan-3-yl-2-[4-(propylamino)piperidin-1-yl]propanamide
CID 60818780
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-ethylpropanamide
CID 81493124
2-(4-hydroxypiperidin-1-yl)-N-pentan-3-ylpropanamide
CID 60719341
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-phenylpropanamide;hydrochloride
CID 119926842
N-butyl-2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]propanamide
CID 63847374
2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(2-methylpropyl)propanamide
CID 63848084
1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]pyrrolidine-3-carboxylic acid
CID 63032568
1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904594
ethyl 3-[4-(cyclopropylmethylamino)piperidin-1-yl]butanoate
CID 115307352
(2S)-N-pentan-3-yl-2-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]propanamide
CID 95784085
2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-N,N-dimethylpropanamide
CID 55257971
N-cyclopentyl-2-[4-(ethylamino)piperidin-1-yl]propanamide
CID 54923819

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-pentan-3-ylpropanamide?
The IUPAC name of 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-pentan-3-ylpropanamide (CID 81494901) is 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)N1CCC(NCC2CC2)CC1.
What is the InChIKey of 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-pentan-3-ylpropanamide?
The InChIKey is IWYGECWPKOEYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-4-15(5-2)19-17(21)13(3)20-10-8-16(9-11-20)18-12-14-6-7-14/h13-16,18H,4-12H2,1-3H3,(H,19,21).
What are the key properties of 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-pentan-3-ylpropanamide?
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-pentan-3-ylpropanamide has a molecular weight of 295.47 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-pentan-3-ylpropanamide is sourced from PubChem (CID 81494901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).