N-(1-propan-2-ylpiperidin-3-yl)prop-2-enamide

C11H20N2O — CID 90443192

IUPACN-(1-propan-2-ylpiperidin-3-yl)prop-2-enamide
SMILESC=CC(=O)NC1CCCN(C(C)C)C1
InChIInChI=1S/C11H20N2O/c1-4-11(14)12-10-6-5-7-13(8-10)9(2)3/h4,9-10H,1,5-8H2,2-3H3,(H,12,14)
InChIKeyPNCUMMQNUWTXAR-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.16
Rot. Bonds3

About N-(1-propan-2-ylpiperidin-3-yl)prop-2-enamide

N-(1-propan-2-ylpiperidin-3-yl)prop-2-enamide (PubChem CID 90443192) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-(1-propan-2-ylpiperidin-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(1-propan-2-ylpiperidin-3-yl)prop-2-enamide
PubChem CID90443192
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-(1-propan-2-ylpiperidin-3-yl)prop-2-enamide
SMILESC=CC(=O)NC1CCCN(C(C)C)C1
InChIInChI=1S/C11H20N2O/c1-4-11(14)12-10-6-5-7-13(8-10)9(2)3/h4,9-10H,1,5-8H2,2-3H3,(H,12,14)
InChIKeyPNCUMMQNUWTXAR-UHFFFAOYSA-N
XLogP1.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Nigragillin
CID 71454343
1-[4-(Dimethylamino)piperidin-1-yl]prop-2-en-1-one
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1-(4-Aminopiperidin-1-yl)prop-2-en-1-one hydrochloride
CID 45792382
N-(piperidin-4-yl)prop-2-enamide hydrochloride
CID 153619436
1-(2,5-Dimethylpiperazin-1-yl)hexa-2,4-dien-1-one
CID 77052214
N-(2-acryloylamino-(1r,2r)-cyclohexyl)-acrylamine
CID 54249047
(2-Acrylamidopropyl)trimethylammonium chloride
CID 11820325
2-Dimethylaminopropyl acrylamide
CID 21707846
N,N'-(1s,2s)-1,2-cyclohexanediyl-bis-2-propenamide
CID 22855274
1-(2,5-Dimethylpiperazin-1-yl)prop-2-en-1-one
CID 64979937
1-[4-(Piperazin-1-yl)piperidin-1-yl]prop-2-en-1-one
CID 142769174
N-(Hexan-2-YL)prop-2-enamide
CID 20510138

Frequently Asked Questions

What is the IUPAC name of N-(1-propan-2-ylpiperidin-3-yl)prop-2-enamide?
The IUPAC name of N-(1-propan-2-ylpiperidin-3-yl)prop-2-enamide (CID 90443192) is N-(1-propan-2-ylpiperidin-3-yl)prop-2-enamide.
What is the SMILES notation for N-(1-propan-2-ylpiperidin-3-yl)prop-2-enamide?
The canonical SMILES for N-(1-propan-2-ylpiperidin-3-yl)prop-2-enamide is C=CC(=O)NC1CCCN(C(C)C)C1.
What is the InChIKey of N-(1-propan-2-ylpiperidin-3-yl)prop-2-enamide?
The InChIKey is PNCUMMQNUWTXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-11(14)12-10-6-5-7-13(8-10)9(2)3/h4,9-10H,1,5-8H2,2-3H3,(H,12,14).
What are the key properties of N-(1-propan-2-ylpiperidin-3-yl)prop-2-enamide?
N-(1-propan-2-ylpiperidin-3-yl)prop-2-enamide has a molecular weight of 196.29 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propan-2-ylpiperidin-3-yl)prop-2-enamide is sourced from PubChem (CID 90443192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).