N-[2-(dimethylamino)-3-ethylpentyl]-3-piperidin-2-ylpropanamide

C17H35N3O — CID 62211126

IUPACN-[2-(dimethylamino)-3-ethylpentyl]-3-piperidin-2-ylpropanamide
SMILESCCC(CC)C(CNC(=O)CCC1CCCCN1)N(C)C
InChIInChI=1S/C17H35N3O/c1-5-14(6-2)16(20(3)4)13-19-17(21)11-10-15-9-7-8-12-18-15/h14-16,18H,5-13H2,1-4H3,(H,19,21)
InChIKeyMZFKJQZXBKLKIK-UHFFFAOYSA-N
MW297.49 g/mol
LogP2.39
Rot. Bonds9

About N-[2-(dimethylamino)-3-ethylpentyl]-3-piperidin-2-ylpropanamide

N-[2-(dimethylamino)-3-ethylpentyl]-3-piperidin-2-ylpropanamide (PubChem CID 62211126) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is N-[2-(dimethylamino)-3-ethylpentyl]-3-piperidin-2-ylpropanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-3-ethylpentyl]-3-piperidin-2-ylpropanamide
PubChem CID62211126
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC NameN-[2-(dimethylamino)-3-ethylpentyl]-3-piperidin-2-ylpropanamide
SMILESCCC(CC)C(CNC(=O)CCC1CCCCN1)N(C)C
InChIInChI=1S/C17H35N3O/c1-5-14(6-2)16(20(3)4)13-19-17(21)11-10-15-9-7-8-12-18-15/h14-16,18H,5-13H2,1-4H3,(H,19,21)
InChIKeyMZFKJQZXBKLKIK-UHFFFAOYSA-N
XLogP2.39
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-[(2S)-piperidin-2-yl]propanamide
CID 94374343
N-[3-(diethylamino)propyl]-3-piperidin-2-ylpropanamide
CID 62210496
N-[[1-(dimethylamino)cyclopentyl]methyl]-3-piperidin-2-ylpropanamide
CID 83110283
ethyl 4-(3-piperidin-2-ylpropanoylamino)butanoate
CID 64576385
N-[2-(dimethylamino)-3-ethylpentyl]-4-hydroxypentanamide
CID 79200682
N-[2-(3-methylbutoxy)ethyl]-3-piperidin-2-ylpropanamide
CID 62211487
N-[(2S)-1-hydroxypropan-2-yl]-3-piperidin-2-ylpropanamide
CID 107218985
N-(2-cyclohexylethyl)-3-piperidin-2-ylpropanamide
CID 62210016
N-[(2R)-1-hydroxypropan-2-yl]-3-piperidin-2-ylpropanamide
CID 107218481
(2R)-2-(3-piperidin-2-ylpropanoylamino)propanoic acid
CID 78986989
N-[2-(dimethylamino)-3-ethylpentyl]piperidine-4-carboxamide
CID 61275439
N-hexan-2-yl-3-piperidin-2-ylpropanamide
CID 62211669

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-3-ethylpentyl]-3-piperidin-2-ylpropanamide?
The IUPAC name of N-[2-(dimethylamino)-3-ethylpentyl]-3-piperidin-2-ylpropanamide (CID 62211126) is N-[2-(dimethylamino)-3-ethylpentyl]-3-piperidin-2-ylpropanamide.
What is the SMILES notation for N-[2-(dimethylamino)-3-ethylpentyl]-3-piperidin-2-ylpropanamide?
The canonical SMILES for N-[2-(dimethylamino)-3-ethylpentyl]-3-piperidin-2-ylpropanamide is CCC(CC)C(CNC(=O)CCC1CCCCN1)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-3-ethylpentyl]-3-piperidin-2-ylpropanamide?
The InChIKey is MZFKJQZXBKLKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-5-14(6-2)16(20(3)4)13-19-17(21)11-10-15-9-7-8-12-18-15/h14-16,18H,5-13H2,1-4H3,(H,19,21).
What are the key properties of N-[2-(dimethylamino)-3-ethylpentyl]-3-piperidin-2-ylpropanamide?
N-[2-(dimethylamino)-3-ethylpentyl]-3-piperidin-2-ylpropanamide has a molecular weight of 297.49 g/mol, XLogP of 2.39, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-3-ethylpentyl]-3-piperidin-2-ylpropanamide is sourced from PubChem (CID 62211126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).