N-(1-aminohexan-2-yl)-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide;dihydrochloride

C17H31Cl2N5O2 — CID 119668820

IUPACN-(1-aminohexan-2-yl)-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide;dihydrochloride
SMILESCCCCC(CN)NC(=O)C1CCC(=O)N(C)C1c1cnn(C)c1.Cl.Cl
InChIInChI=1S/C17H29N5O2.2ClH/c1-4-5-6-13(9-18)20-17(24)14-7-8-15(23)22(3)16(14)12-10-19-21(2)11-12;;/h10-11,13-14,16H,4-9,18H2,1-3H3,(H,20,24);2*1H
InChIKeyQREVYOVUVBAJBW-UHFFFAOYSA-N
MW408.37 g/mol
LogP1.81
Rot. Bonds7

About N-(1-aminohexan-2-yl)-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide;dihydrochloride

N-(1-aminohexan-2-yl)-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide;dihydrochloride (PubChem CID 119668820) has the molecular formula C17H31Cl2N5O2 and a molecular weight of 408.37 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide;dihydrochloride
PubChem CID119668820
Molecular FormulaC17H31Cl2N5O2
Molecular Weight408.37 g/mol
Exact Mass407.19
IUPAC NameN-(1-aminohexan-2-yl)-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide;dihydrochloride
SMILESCCCCC(CN)NC(=O)C1CCC(=O)N(C)C1c1cnn(C)c1.Cl.Cl
InChIInChI=1S/C17H29N5O2.2ClH/c1-4-5-6-13(9-18)20-17(24)14-7-8-15(23)22(3)16(14)12-10-19-21(2)11-12;;/h10-11,13-14,16H,4-9,18H2,1-3H3,(H,20,24);2*1H
InChIKeyQREVYOVUVBAJBW-UHFFFAOYSA-N
XLogP1.81
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.37
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid
CID 119237864
2-methyl-3-[[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]-2-phenylpropanoic acid
CID 120701552
4-[2-[[(2S,3R)-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]ethyl]benzoic acid
CID 125151949
4-[methyl-[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]butanoic acid
CID 119172685
(5R,6R)-5-[(3R)-3-ethoxypiperidine-1-carbonyl]-1-methyl-6-(1-methylpyrazol-4-yl)piperidin-2-one
CID 124840117
5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1-methyl-6-(1-methylpyrazol-4-yl)piperidin-2-one;dihydrochloride
CID 120747661
(5S,6R)-1-methyl-5-[(3R)-3-methylpiperazine-1-carbonyl]-6-(1-methylpyrazol-4-yl)piperidin-2-one
CID 124620457
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide
CID 120891003
(2R)-2-[methyl-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid
CID 125134220
1-methyl-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide
CID 86957597
N-(2-aminoethyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide;hydrochloride
CID 119383801
2-[2,6-di(propan-2-yl)anilino]ethyl (2S,3R)-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxylate
CID 97085680

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide;dihydrochloride (CID 119668820) is N-(1-aminohexan-2-yl)-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide;dihydrochloride is CCCCC(CN)NC(=O)C1CCC(=O)N(C)C1c1cnn(C)c1.Cl.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide;dihydrochloride?
The InChIKey is QREVYOVUVBAJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2.2ClH/c1-4-5-6-13(9-18)20-17(24)14-7-8-15(23)22(3)16(14)12-10-19-21(2)11-12;;/h10-11,13-14,16H,4-9,18H2,1-3H3,(H,20,24);2*1H.
What are the key properties of N-(1-aminohexan-2-yl)-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide;dihydrochloride?
N-(1-aminohexan-2-yl)-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide;dihydrochloride has a molecular weight of 408.37 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119668820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).