N-[1-butanoyl-5-(3-hydroxypropyl)piperidin-3-yl]-2-methylpropanamide

C16H30N2O3 — CID 112542725

IUPACN-[1-butanoyl-5-(3-hydroxypropyl)piperidin-3-yl]-2-methylpropanamide
SMILESCCCC(=O)N1CC(CCCO)CC(NC(=O)C(C)C)C1
InChIInChI=1S/C16H30N2O3/c1-4-6-15(20)18-10-13(7-5-8-19)9-14(11-18)17-16(21)12(2)3/h12-14,19H,4-11H2,1-3H3,(H,17,21)
InChIKeyCSINNHFMIVQSBG-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.55
Rot. Bonds7

About N-[1-butanoyl-5-(3-hydroxypropyl)piperidin-3-yl]-2-methylpropanamide

N-[1-butanoyl-5-(3-hydroxypropyl)piperidin-3-yl]-2-methylpropanamide (PubChem CID 112542725) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-[1-butanoyl-5-(3-hydroxypropyl)piperidin-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-butanoyl-5-(3-hydroxypropyl)piperidin-3-yl]-2-methylpropanamide
PubChem CID112542725
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC NameN-[1-butanoyl-5-(3-hydroxypropyl)piperidin-3-yl]-2-methylpropanamide
SMILESCCCC(=O)N1CC(CCCO)CC(NC(=O)C(C)C)C1
InChIInChI=1S/C16H30N2O3/c1-4-6-15(20)18-10-13(7-5-8-19)9-14(11-18)17-16(21)12(2)3/h12-14,19H,4-11H2,1-3H3,(H,17,21)
InChIKeyCSINNHFMIVQSBG-UHFFFAOYSA-N
XLogP1.55
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(3-hydroxypropyl)-5-(2-methylpropylamino)piperidin-1-yl]butan-1-one
CID 83994409
3-(3-hydroxypropyl)-5-(2-methylpropanoylamino)piperidine-1-carboxamide
CID 112542681
1-[3-(2,2-dimethylpropylamino)-5-(3-hydroxypropyl)piperidin-1-yl]butan-1-one
CID 83995101
1-[3-butyl-5-(methylamino)piperidin-1-yl]butan-1-one
CID 83989768
1-[3-(benzylamino)-5-(3-hydroxypropyl)piperidin-1-yl]butan-1-one
CID 83993717
1-[3-(cyclopropylamino)-5-propylpiperidin-1-yl]butan-1-one
CID 112541312
ethyl N-[5-(3-hydroxypropyl)-1-propanoylpiperidin-3-yl]carbamate
CID 112543863
1-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]butan-1-one
CID 83999243
N-(1-butanoyl-5-ethylpiperidin-3-yl)acetamide
CID 112541827
ethyl N-[1-acetyl-5-(3-hydroxypropyl)piperidin-3-yl]carbamate
CID 112543842
1-[3-(cyclopentylamino)-5-(3-hydroxypropyl)piperidin-1-yl]propan-1-one
CID 83999929
1-[3-ethyl-5-(methylamino)piperidin-1-yl]butan-1-one
CID 83989767

Frequently Asked Questions

What is the IUPAC name of N-[1-butanoyl-5-(3-hydroxypropyl)piperidin-3-yl]-2-methylpropanamide?
The IUPAC name of N-[1-butanoyl-5-(3-hydroxypropyl)piperidin-3-yl]-2-methylpropanamide (CID 112542725) is N-[1-butanoyl-5-(3-hydroxypropyl)piperidin-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-butanoyl-5-(3-hydroxypropyl)piperidin-3-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-butanoyl-5-(3-hydroxypropyl)piperidin-3-yl]-2-methylpropanamide is CCCC(=O)N1CC(CCCO)CC(NC(=O)C(C)C)C1.
What is the InChIKey of N-[1-butanoyl-5-(3-hydroxypropyl)piperidin-3-yl]-2-methylpropanamide?
The InChIKey is CSINNHFMIVQSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-4-6-15(20)18-10-13(7-5-8-19)9-14(11-18)17-16(21)12(2)3/h12-14,19H,4-11H2,1-3H3,(H,17,21).
What are the key properties of N-[1-butanoyl-5-(3-hydroxypropyl)piperidin-3-yl]-2-methylpropanamide?
N-[1-butanoyl-5-(3-hydroxypropyl)piperidin-3-yl]-2-methylpropanamide has a molecular weight of 298.43 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-butanoyl-5-(3-hydroxypropyl)piperidin-3-yl]-2-methylpropanamide is sourced from PubChem (CID 112542725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).