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

C13H25ClN2O2 — CID 120556581

IUPACN-(3-methylpiperidin-4-yl)-4-prop-2-enoxybutanamide;hydrochloride
SMILESC=CCOCCCC(=O)NC1CCNCC1C.Cl
InChIInChI=1S/C13H24N2O2.ClH/c1-3-8-17-9-4-5-13(16)15-12-6-7-14-10-11(12)2;/h3,11-12,14H,1,4-10H2,2H3,(H,15,16);1H
InChIKeyGXFSPAFQLAQIKE-UHFFFAOYSA-N
MW276.81 g/mol
LogP1.51
Rot. Bonds7

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

N-(3-methylpiperidin-4-yl)-4-prop-2-enoxybutanamide;hydrochloride (PubChem CID 120556581) has the molecular formula C13H25ClN2O2 and a molecular weight of 276.81 g/mol. Its IUPAC name is N-(3-methylpiperidin-4-yl)-4-prop-2-enoxybutanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-methylpiperidin-4-yl)-4-prop-2-enoxybutanamide;hydrochloride
PubChem CID120556581
Molecular FormulaC13H25ClN2O2
Molecular Weight276.81 g/mol
Exact Mass276.16
IUPAC NameN-(3-methylpiperidin-4-yl)-4-prop-2-enoxybutanamide;hydrochloride
SMILESC=CCOCCCC(=O)NC1CCNCC1C.Cl
InChIInChI=1S/C13H24N2O2.ClH/c1-3-8-17-9-4-5-13(16)15-12-6-7-14-10-11(12)2;/h3,11-12,14H,1,4-10H2,2H3,(H,15,16);1H
InChIKeyGXFSPAFQLAQIKE-UHFFFAOYSA-N
XLogP1.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylpiperidin-4-yl)-4-(2-phenylethoxy)butanamide;hydrochloride
CID 120555490
N-(3-methylpiperidin-4-yl)decanamide
CID 79886452
4-(4-methoxyphenoxy)-N-(3-methylpiperidin-4-yl)butanamide
CID 120555351
N'-(3-methylpiperidin-4-yl)-N-propylpentanediamide
CID 120554463
N'-(3-methylpiperidin-4-yl)-N-propylbutanediamide;hydrochloride
CID 120557551
N-(3-methylpiperidin-4-yl)-2-prop-2-enylpent-4-enamide;hydrochloride
CID 120553440
4-(3-bromophenoxy)-N-(3-methylpiperidin-4-yl)butanamide
CID 120554975
N-(3-methylpiperidin-4-yl)-N',N'-dipropylpentanediamide
CID 120557827
N-(3-methylpiperidin-4-yl)-3-phenylmethoxypropanamide
CID 120554516
N-(3-methylpiperidin-4-yl)-3-phenoxypropanamide
CID 79886279
3-(4-chlorophenoxy)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120554554
3-(3,5-dimethylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide
CID 120553278

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpiperidin-4-yl)-4-prop-2-enoxybutanamide;hydrochloride?
The IUPAC name of N-(3-methylpiperidin-4-yl)-4-prop-2-enoxybutanamide;hydrochloride (CID 120556581) is N-(3-methylpiperidin-4-yl)-4-prop-2-enoxybutanamide;hydrochloride.
What is the SMILES notation for N-(3-methylpiperidin-4-yl)-4-prop-2-enoxybutanamide;hydrochloride?
The canonical SMILES for N-(3-methylpiperidin-4-yl)-4-prop-2-enoxybutanamide;hydrochloride is C=CCOCCCC(=O)NC1CCNCC1C.Cl.
What is the InChIKey of N-(3-methylpiperidin-4-yl)-4-prop-2-enoxybutanamide;hydrochloride?
The InChIKey is GXFSPAFQLAQIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2.ClH/c1-3-8-17-9-4-5-13(16)15-12-6-7-14-10-11(12)2;/h3,11-12,14H,1,4-10H2,2H3,(H,15,16);1H.
What are the key properties of N-(3-methylpiperidin-4-yl)-4-prop-2-enoxybutanamide;hydrochloride?
N-(3-methylpiperidin-4-yl)-4-prop-2-enoxybutanamide;hydrochloride has a molecular weight of 276.81 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpiperidin-4-yl)-4-prop-2-enoxybutanamide;hydrochloride is sourced from PubChem (CID 120556581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).