3-piperidin-3-yl-N-propan-2-yl-N-prop-2-enylbutanamide

C15H28N2O — CID 81044014

IUPAC3-piperidin-3-yl-N-propan-2-yl-N-prop-2-enylbutanamide
SMILESC=CCN(C(=O)CC(C)C1CCCNC1)C(C)C
InChIInChI=1S/C15H28N2O/c1-5-9-17(12(2)3)15(18)10-13(4)14-7-6-8-16-11-14/h5,12-14,16H,1,6-11H2,2-4H3
InChIKeyJNINEXJADGTMFN-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.44
Rot. Bonds6

About 3-piperidin-3-yl-N-propan-2-yl-N-prop-2-enylbutanamide

3-piperidin-3-yl-N-propan-2-yl-N-prop-2-enylbutanamide (PubChem CID 81044014) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 3-piperidin-3-yl-N-propan-2-yl-N-prop-2-enylbutanamide.

Molecular Properties

Compound Name3-piperidin-3-yl-N-propan-2-yl-N-prop-2-enylbutanamide
PubChem CID81044014
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name3-piperidin-3-yl-N-propan-2-yl-N-prop-2-enylbutanamide
SMILESC=CCN(C(=O)CC(C)C1CCCNC1)C(C)C
InChIInChI=1S/C15H28N2O/c1-5-9-17(12(2)3)15(18)10-13(4)14-7-6-8-16-11-14/h5,12-14,16H,1,6-11H2,2-4H3
InChIKeyJNINEXJADGTMFN-UHFFFAOYSA-N
XLogP2.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-piperidin-3-yl-N-propan-2-yl-N-propylbutanamide
CID 81043730
2-[3-piperidin-3-ylbutanoyl(prop-2-enyl)amino]acetic acid
CID 81043537
N-ethyl-N-(1-ethylsulfonylpropan-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119786203
N-butan-2-yl-N-butyl-3-piperidin-3-ylbutanamide
CID 81043746
N-methyl-N-(2-methylpropyl)-3-piperidin-3-ylbutanamide
CID 81043828
3-piperidin-3-yl-N,N-dipropylbutanamide
CID 81043811
2-piperidin-3-ylnon-8-en-4-one
CID 116594394
(3S)-3-[(3S)-piperidin-3-yl]butanoic acid
CID 95732451
3-piperidin-3-ylbutanoic acid
CID 71691534
N,N-bis(cyclopropylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119791148
N-methyl-3-piperidin-3-yl-N-propylbutanamide
CID 81043827
N-(2-amino-2-oxoethyl)-N-methyl-3-piperidin-3-ylbutanamide
CID 81044730

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-N-propan-2-yl-N-prop-2-enylbutanamide?
The IUPAC name of 3-piperidin-3-yl-N-propan-2-yl-N-prop-2-enylbutanamide (CID 81044014) is 3-piperidin-3-yl-N-propan-2-yl-N-prop-2-enylbutanamide.
What is the SMILES notation for 3-piperidin-3-yl-N-propan-2-yl-N-prop-2-enylbutanamide?
The canonical SMILES for 3-piperidin-3-yl-N-propan-2-yl-N-prop-2-enylbutanamide is C=CCN(C(=O)CC(C)C1CCCNC1)C(C)C.
What is the InChIKey of 3-piperidin-3-yl-N-propan-2-yl-N-prop-2-enylbutanamide?
The InChIKey is JNINEXJADGTMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-5-9-17(12(2)3)15(18)10-13(4)14-7-6-8-16-11-14/h5,12-14,16H,1,6-11H2,2-4H3.
What are the key properties of 3-piperidin-3-yl-N-propan-2-yl-N-prop-2-enylbutanamide?
3-piperidin-3-yl-N-propan-2-yl-N-prop-2-enylbutanamide has a molecular weight of 252.40 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yl-N-propan-2-yl-N-prop-2-enylbutanamide is sourced from PubChem (CID 81044014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).