N-(3-methylpiperidin-4-yl)-2-prop-2-enylpent-4-enamide;hydrochloride

C14H25ClN2O — CID 120553440

IUPACN-(3-methylpiperidin-4-yl)-2-prop-2-enylpent-4-enamide;hydrochloride
SMILESC=CCC(CC=C)C(=O)NC1CCNCC1C.Cl
InChIInChI=1S/C14H24N2O.ClH/c1-4-6-12(7-5-2)14(17)16-13-8-9-15-10-11(13)3;/h4-5,11-13,15H,1-2,6-10H2,3H3,(H,16,17);1H
InChIKeyKATJRUUERADNHA-UHFFFAOYSA-N
MW272.82 g/mol
LogP2.29
Rot. Bonds6

About N-(3-methylpiperidin-4-yl)-2-prop-2-enylpent-4-enamide;hydrochloride

N-(3-methylpiperidin-4-yl)-2-prop-2-enylpent-4-enamide;hydrochloride (PubChem CID 120553440) has the molecular formula C14H25ClN2O and a molecular weight of 272.82 g/mol. Its IUPAC name is N-(3-methylpiperidin-4-yl)-2-prop-2-enylpent-4-enamide;hydrochloride.

Molecular Properties

Compound NameN-(3-methylpiperidin-4-yl)-2-prop-2-enylpent-4-enamide;hydrochloride
PubChem CID120553440
Molecular FormulaC14H25ClN2O
Molecular Weight272.82 g/mol
Exact Mass272.17
IUPAC NameN-(3-methylpiperidin-4-yl)-2-prop-2-enylpent-4-enamide;hydrochloride
SMILESC=CCC(CC=C)C(=O)NC1CCNCC1C.Cl
InChIInChI=1S/C14H24N2O.ClH/c1-4-6-12(7-5-2)14(17)16-13-8-9-15-10-11(13)3;/h4-5,11-13,15H,1-2,6-10H2,3H3,(H,16,17);1H
InChIKeyKATJRUUERADNHA-UHFFFAOYSA-N
XLogP2.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.82
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(cyclohexylmethyl)-N-(3-methylpiperidin-4-yl)butanamide
CID 120553439
2-(cyclohexylmethyl)-N-(3-methylpiperidin-4-yl)pentanamide;hydrochloride
CID 120556998
N-(3-methylpiperidin-4-yl)-4-prop-2-enoxybutanamide;hydrochloride
CID 120556581
N-(3-methylpiperidin-4-yl)decanamide
CID 79886452
2-(azepan-1-yl)-N-(3-methylpiperidin-4-yl)propanamide;dihydrochloride
CID 120557148
2-acetamido-2-cyclopentyl-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120556382
3,4,4-trimethyl-N-(3-methylpiperidin-4-yl)pentanamide
CID 79886443
2-cyclohexyloxy-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride
CID 120557800
N-(3-methylpiperidin-4-yl)-2-phenylbutanamide;hydrochloride
CID 120553376
2-butoxy-N-(3-methylpiperidin-4-yl)propanamide
CID 120553227
1-cyclopropyl-3-(3-methylpiperidin-4-yl)urea
CID 79886101
N-(3-methylpiperidin-4-yl)-4-prop-2-enoxybenzamide
CID 120556672

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpiperidin-4-yl)-2-prop-2-enylpent-4-enamide;hydrochloride?
The IUPAC name of N-(3-methylpiperidin-4-yl)-2-prop-2-enylpent-4-enamide;hydrochloride (CID 120553440) is N-(3-methylpiperidin-4-yl)-2-prop-2-enylpent-4-enamide;hydrochloride.
What is the SMILES notation for N-(3-methylpiperidin-4-yl)-2-prop-2-enylpent-4-enamide;hydrochloride?
The canonical SMILES for N-(3-methylpiperidin-4-yl)-2-prop-2-enylpent-4-enamide;hydrochloride is C=CCC(CC=C)C(=O)NC1CCNCC1C.Cl.
What is the InChIKey of N-(3-methylpiperidin-4-yl)-2-prop-2-enylpent-4-enamide;hydrochloride?
The InChIKey is KATJRUUERADNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O.ClH/c1-4-6-12(7-5-2)14(17)16-13-8-9-15-10-11(13)3;/h4-5,11-13,15H,1-2,6-10H2,3H3,(H,16,17);1H.
What are the key properties of N-(3-methylpiperidin-4-yl)-2-prop-2-enylpent-4-enamide;hydrochloride?
N-(3-methylpiperidin-4-yl)-2-prop-2-enylpent-4-enamide;hydrochloride has a molecular weight of 272.82 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpiperidin-4-yl)-2-prop-2-enylpent-4-enamide;hydrochloride is sourced from PubChem (CID 120553440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).