2-(3-piperidin-4-ylbutanoylamino)-N-prop-2-enylbenzamide

C19H27N3O2 — CID 119684683

IUPAC2-(3-piperidin-4-ylbutanoylamino)-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)CC(C)C1CCNCC1
InChIInChI=1S/C19H27N3O2/c1-3-10-21-19(24)16-6-4-5-7-17(16)22-18(23)13-14(2)15-8-11-20-12-9-15/h3-7,14-15,20H,1,8-13H2,2H3,(H,21,24)(H,22,23)
InChIKeyZYNCBBVYXTXKSV-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.57
Rot. Bonds7

About 2-(3-piperidin-4-ylbutanoylamino)-N-prop-2-enylbenzamide

2-(3-piperidin-4-ylbutanoylamino)-N-prop-2-enylbenzamide (PubChem CID 119684683) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-(3-piperidin-4-ylbutanoylamino)-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-(3-piperidin-4-ylbutanoylamino)-N-prop-2-enylbenzamide
PubChem CID119684683
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name2-(3-piperidin-4-ylbutanoylamino)-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)CC(C)C1CCNCC1
InChIInChI=1S/C19H27N3O2/c1-3-10-21-19(24)16-6-4-5-7-17(16)22-18(23)13-14(2)15-8-11-20-12-9-15/h3-7,14-15,20H,1,8-13H2,2H3,(H,21,24)(H,22,23)
InChIKeyZYNCBBVYXTXKSV-UHFFFAOYSA-N
XLogP2.57
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-tert-butylphenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119399928
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-piperidin-4-ylbutanamide
CID 119717975
N-[2-(difluoromethylsulfanyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119687144
2-chloro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide
CID 119703578
N-[2-(ethylaminomethyl)phenyl]-3-piperidin-4-ylbutanamide
CID 122080277
2-(butanoylamino)-N-prop-2-enylbenzamide
CID 4932304
2-[(2-phenylacetyl)amino]-N-prop-2-enylbenzamide
CID 3915249
2-(propan-2-ylamino)-N-prop-2-enylbenzamide
CID 63101364
2-[(2-methylsulfanylbenzoyl)amino]-N-prop-2-enylbenzamide
CID 2228039
4-oxo-4-[2-(prop-2-enylcarbamoyl)anilino]butanoic acid
CID 4932263
3-piperidin-4-yl-N-[2-(2,2,2-trifluoroethoxy)phenyl]butanamide
CID 119700416
N-[2-(2,2-difluoroethoxy)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119814484

Frequently Asked Questions

What is the IUPAC name of 2-(3-piperidin-4-ylbutanoylamino)-N-prop-2-enylbenzamide?
The IUPAC name of 2-(3-piperidin-4-ylbutanoylamino)-N-prop-2-enylbenzamide (CID 119684683) is 2-(3-piperidin-4-ylbutanoylamino)-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-(3-piperidin-4-ylbutanoylamino)-N-prop-2-enylbenzamide?
The canonical SMILES for 2-(3-piperidin-4-ylbutanoylamino)-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccccc1NC(=O)CC(C)C1CCNCC1.
What is the InChIKey of 2-(3-piperidin-4-ylbutanoylamino)-N-prop-2-enylbenzamide?
The InChIKey is ZYNCBBVYXTXKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-3-10-21-19(24)16-6-4-5-7-17(16)22-18(23)13-14(2)15-8-11-20-12-9-15/h3-7,14-15,20H,1,8-13H2,2H3,(H,21,24)(H,22,23).
What are the key properties of 2-(3-piperidin-4-ylbutanoylamino)-N-prop-2-enylbenzamide?
2-(3-piperidin-4-ylbutanoylamino)-N-prop-2-enylbenzamide has a molecular weight of 329.44 g/mol, XLogP of 2.57, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-piperidin-4-ylbutanoylamino)-N-prop-2-enylbenzamide is sourced from PubChem (CID 119684683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).