3-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide

C20H32N2O — CID 119686110

IUPAC3-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide
SMILESCC(C)c1ccc(C(C)NC(=O)CC(C)C2CCNCC2)cc1
InChIInChI=1S/C20H32N2O/c1-14(2)17-5-7-19(8-6-17)16(4)22-20(23)13-15(3)18-9-11-21-12-10-18/h5-8,14-16,18,21H,9-13H2,1-4H3,(H,22,23)
InChIKeyBJNMVKCNDNOMST-UHFFFAOYSA-N
MW316.49 g/mol
LogP4.01
Rot. Bonds6

About 3-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide

3-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide (PubChem CID 119686110) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is 3-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name3-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide
PubChem CID119686110
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC Name3-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide
SMILESCC(C)c1ccc(C(C)NC(=O)CC(C)C2CCNCC2)cc1
InChIInChI=1S/C20H32N2O/c1-14(2)17-5-7-19(8-6-17)16(4)22-20(23)13-15(3)18-9-11-21-12-10-18/h5-8,14-16,18,21H,9-13H2,1-4H3,(H,22,23)
InChIKeyBJNMVKCNDNOMST-UHFFFAOYSA-N
XLogP4.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119685524
N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-piperidin-4-ylbutanamide
CID 119721978
2-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide
CID 61030445
N-[1-[4-(methylsulfamoyl)phenyl]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119750157
3-piperidin-4-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride
CID 119672812
2-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide;hydrochloride
CID 119686100
N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119720937
N-(1,1-diphenylpropan-2-yl)-3-piperidin-4-ylbutanamide
CID 119716630
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-ylacetamide
CID 81354394
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-ylacetamide
CID 81354078
N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide
CID 43707174
N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide
CID 119693492

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide?
The IUPAC name of 3-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide (CID 119686110) is 3-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide.
What is the SMILES notation for 3-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide?
The canonical SMILES for 3-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide is CC(C)c1ccc(C(C)NC(=O)CC(C)C2CCNCC2)cc1.
What is the InChIKey of 3-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide?
The InChIKey is BJNMVKCNDNOMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O/c1-14(2)17-5-7-19(8-6-17)16(4)22-20(23)13-15(3)18-9-11-21-12-10-18/h5-8,14-16,18,21H,9-13H2,1-4H3,(H,22,23).
What are the key properties of 3-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide?
3-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide has a molecular weight of 316.49 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide is sourced from PubChem (CID 119686110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).