2-amino-N-methyl-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]pentanamide;trihydrochloride

C16H32Cl3N5O — CID 119903137

IUPAC2-amino-N-methyl-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]pentanamide;trihydrochloride
SMILESCCCC(N)C(=O)N(C)C1CCN(CCn2cccn2)CC1.Cl.Cl.Cl
InChIInChI=1S/C16H29N5O.3ClH/c1-3-5-15(17)16(22)19(2)14-6-10-20(11-7-14)12-13-21-9-4-8-18-21;;;/h4,8-9,14-15H,3,5-7,10-13,17H2,1-2H3;3*1H
InChIKeyGFUHCLGXMCXKRO-UHFFFAOYSA-N
MW416.83 g/mol
LogP2.20
Rot. Bonds7

About 2-amino-N-methyl-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]pentanamide;trihydrochloride

2-amino-N-methyl-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]pentanamide;trihydrochloride (PubChem CID 119903137) has the molecular formula C16H32Cl3N5O and a molecular weight of 416.83 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]pentanamide;trihydrochloride.

Molecular Properties

Compound Name2-amino-N-methyl-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]pentanamide;trihydrochloride
PubChem CID119903137
Molecular FormulaC16H32Cl3N5O
Molecular Weight416.83 g/mol
Exact Mass415.17
IUPAC Name2-amino-N-methyl-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]pentanamide;trihydrochloride
SMILESCCCC(N)C(=O)N(C)C1CCN(CCn2cccn2)CC1.Cl.Cl.Cl
InChIInChI=1S/C16H29N5O.3ClH/c1-3-5-15(17)16(22)19(2)14-6-10-20(11-7-14)12-13-21-9-4-8-18-21;;;/h4,8-9,14-15H,3,5-7,10-13,17H2,1-2H3;3*1H
InChIKeyGFUHCLGXMCXKRO-UHFFFAOYSA-N
XLogP2.20
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.83
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-methyl-N-(1-methylpiperidin-4-yl)pentanamide
CID 60779990
(2R)-2-amino-N-methyl-N-(1-methylpiperidin-4-yl)pentanamide
CID 94166116
(2R)-2-amino-N-cyclobutyl-N-methylpentanamide
CID 103797073
N-methyl-4-(methylamino)-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]butanamide
CID 119903136
(2R)-2-amino-N,4-dimethyl-N-(1-propylpiperidin-4-yl)pentanamide
CID 93469457
1-methyl-3-(5-methyl-2-pyridinyl)-1-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]urea
CID 122138801
N-methyl-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 154796728
3-amino-4-[(1-ethylpiperidin-4-yl)-methylamino]-4-oxobutanoic acid
CID 64896459
2-amino-N-methyl-N-(3-methylcyclohexyl)pentanamide;hydrochloride
CID 119285987
(2R)-2-amino-N-(1-ethylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119841949
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methyl-3-phenylpropanamide;dihydrochloride
CID 119878253
N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-yl]acetamide
CID 97018897

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]pentanamide;trihydrochloride?
The IUPAC name of 2-amino-N-methyl-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]pentanamide;trihydrochloride (CID 119903137) is 2-amino-N-methyl-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]pentanamide;trihydrochloride.
What is the SMILES notation for 2-amino-N-methyl-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]pentanamide;trihydrochloride?
The canonical SMILES for 2-amino-N-methyl-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]pentanamide;trihydrochloride is CCCC(N)C(=O)N(C)C1CCN(CCn2cccn2)CC1.Cl.Cl.Cl.
What is the InChIKey of 2-amino-N-methyl-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]pentanamide;trihydrochloride?
The InChIKey is GFUHCLGXMCXKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O.3ClH/c1-3-5-15(17)16(22)19(2)14-6-10-20(11-7-14)12-13-21-9-4-8-18-21;;;/h4,8-9,14-15H,3,5-7,10-13,17H2,1-2H3;3*1H.
What are the key properties of 2-amino-N-methyl-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]pentanamide;trihydrochloride?
2-amino-N-methyl-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]pentanamide;trihydrochloride has a molecular weight of 416.83 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]pentanamide;trihydrochloride is sourced from PubChem (CID 119903137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).