N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride

C17H31ClN4O2 — CID 119809377

IUPACN-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCOCCn1nc(C)c(NC(=O)CC(C)C2CCNCC2)c1C.Cl
InChIInChI=1S/C17H30N4O2.ClH/c1-12(15-5-7-18-8-6-15)11-16(22)19-17-13(2)20-21(14(17)3)9-10-23-4;/h12,15,18H,5-11H2,1-4H3,(H,19,22);1H
InChIKeyWDLKYVMPKRDURI-UHFFFAOYSA-N
MW358.91 g/mol
LogP2.53
Rot. Bonds7

About N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride

N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119809377) has the molecular formula C17H31ClN4O2 and a molecular weight of 358.91 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119809377
Molecular FormulaC17H31ClN4O2
Molecular Weight358.91 g/mol
Exact Mass358.21
IUPAC NameN-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCOCCn1nc(C)c(NC(=O)CC(C)C2CCNCC2)c1C.Cl
InChIInChI=1S/C17H30N4O2.ClH/c1-12(15-5-7-18-8-6-15)11-16(22)19-17-13(2)20-21(14(17)3)9-10-23-4;/h12,15,18H,5-11H2,1-4H3,(H,19,22);1H
InChIKeyWDLKYVMPKRDURI-UHFFFAOYSA-N
XLogP2.53
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.91
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119728726
N-(2-methoxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119669583
N-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-N'-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]oxamide
CID 97001775
2-piperidin-4-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;hydrochloride
CID 119688873
N-[3-(2-methoxyethoxy)propyl]-3-piperidin-4-ylbutanamide
CID 119693914
(3S,5S)-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-3,5-dimethylpiperidine-1-carboxamide
CID 97101977
N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-3,5-dimethylpiperidine-1-carboxamide
CID 75441301
(1S,2R,4S)-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 129378466
3-piperidin-4-yl-N-(2,4,5-trimethoxyphenyl)butanamide
CID 119808136
N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119870176
3-piperidin-4-yl-N-pyridin-4-ylbutanamide
CID 119827125
methyl 4-(3-piperidin-4-ylbutanoylamino)benzoate
CID 119671385

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride (CID 119809377) is N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride is COCCn1nc(C)c(NC(=O)CC(C)C2CCNCC2)c1C.Cl.
What is the InChIKey of N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is WDLKYVMPKRDURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2.ClH/c1-12(15-5-7-18-8-6-15)11-16(22)19-17-13(2)20-21(14(17)3)9-10-23-4;/h12,15,18H,5-11H2,1-4H3,(H,19,22);1H.
What are the key properties of N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride?
N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 358.91 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119809377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).