3-piperidin-3-yl-N-propan-2-yl-N-propylbutanamide

C15H30N2O — CID 81043730

IUPAC3-piperidin-3-yl-N-propan-2-yl-N-propylbutanamide
SMILESCCCN(C(=O)CC(C)C1CCCNC1)C(C)C
InChIInChI=1S/C15H30N2O/c1-5-9-17(12(2)3)15(18)10-13(4)14-7-6-8-16-11-14/h12-14,16H,5-11H2,1-4H3
InChIKeyBPTMFTNDHIJIHU-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.66
Rot. Bonds6

About 3-piperidin-3-yl-N-propan-2-yl-N-propylbutanamide

3-piperidin-3-yl-N-propan-2-yl-N-propylbutanamide (PubChem CID 81043730) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 3-piperidin-3-yl-N-propan-2-yl-N-propylbutanamide.

Molecular Properties

Compound Name3-piperidin-3-yl-N-propan-2-yl-N-propylbutanamide
PubChem CID81043730
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name3-piperidin-3-yl-N-propan-2-yl-N-propylbutanamide
SMILESCCCN(C(=O)CC(C)C1CCCNC1)C(C)C
InChIInChI=1S/C15H30N2O/c1-5-9-17(12(2)3)15(18)10-13(4)14-7-6-8-16-11-14/h12-14,16H,5-11H2,1-4H3
InChIKeyBPTMFTNDHIJIHU-UHFFFAOYSA-N
XLogP2.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-piperidin-3-yl-N,N-dipropylbutanamide
CID 81043811
N-methyl-3-piperidin-3-yl-N-propylbutanamide
CID 81043827
N-butan-2-yl-N-butyl-3-piperidin-3-ylbutanamide
CID 81043746
3-piperidin-3-yl-N-propan-2-yl-N-prop-2-enylbutanamide
CID 81044014
N-ethyl-N-(1-ethylsulfonylpropan-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119786203
N-butyl-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119672315
N-(1,1-dioxothiolan-3-yl)-3-piperidin-3-yl-N-propylbutanamide
CID 119683492
N-cyclopropyl-N-(2-hydroxyethyl)-3-piperidin-3-ylbutanamide
CID 81044178
N-[2-oxo-2-(propylamino)ethyl]-3-piperidin-3-yl-N-propylbutanamide;hydrochloride
CID 119741250
N-methyl-N-(2-methylpropyl)-3-piperidin-3-ylbutanamide
CID 81043828
3-piperidin-3-ylbutanoic acid
CID 71691534
(3S)-3-[(3S)-piperidin-3-yl]butanoic acid
CID 95732451

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-N-propan-2-yl-N-propylbutanamide?
The IUPAC name of 3-piperidin-3-yl-N-propan-2-yl-N-propylbutanamide (CID 81043730) is 3-piperidin-3-yl-N-propan-2-yl-N-propylbutanamide.
What is the SMILES notation for 3-piperidin-3-yl-N-propan-2-yl-N-propylbutanamide?
The canonical SMILES for 3-piperidin-3-yl-N-propan-2-yl-N-propylbutanamide is CCCN(C(=O)CC(C)C1CCCNC1)C(C)C.
What is the InChIKey of 3-piperidin-3-yl-N-propan-2-yl-N-propylbutanamide?
The InChIKey is BPTMFTNDHIJIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-5-9-17(12(2)3)15(18)10-13(4)14-7-6-8-16-11-14/h12-14,16H,5-11H2,1-4H3.
What are the key properties of 3-piperidin-3-yl-N-propan-2-yl-N-propylbutanamide?
3-piperidin-3-yl-N-propan-2-yl-N-propylbutanamide has a molecular weight of 254.42 g/mol, XLogP of 2.66, 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-propylbutanamide is sourced from PubChem (CID 81043730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).