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

C15H30N2O2 — CID 112542596

IUPACN-[5-(1-hydroxypropyl)-1-propylpiperidin-3-yl]-2-methylpropanamide
SMILESCCCN1CC(NC(=O)C(C)C)CC(C(O)CC)C1
InChIInChI=1S/C15H30N2O2/c1-5-7-17-9-12(14(18)6-2)8-13(10-17)16-15(19)11(3)4/h11-14,18H,5-10H2,1-4H3,(H,16,19)
InChIKeyIDHBLTLEKIUHKV-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.63
Rot. Bonds6

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

N-[5-(1-hydroxypropyl)-1-propylpiperidin-3-yl]-2-methylpropanamide (PubChem CID 112542596) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-[5-(1-hydroxypropyl)-1-propylpiperidin-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-(1-hydroxypropyl)-1-propylpiperidin-3-yl]-2-methylpropanamide
PubChem CID112542596
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC NameN-[5-(1-hydroxypropyl)-1-propylpiperidin-3-yl]-2-methylpropanamide
SMILESCCCN1CC(NC(=O)C(C)C)CC(C(O)CC)C1
InChIInChI=1S/C15H30N2O2/c1-5-7-17-9-12(14(18)6-2)8-13(10-17)16-15(19)11(3)4/h11-14,18H,5-10H2,1-4H3,(H,16,19)
InChIKeyIDHBLTLEKIUHKV-UHFFFAOYSA-N
XLogP1.63
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[1-butyl-5-(1-hydroxypropyl)piperidin-3-yl]carbamate
CID 112543103
methyl 3-(1-hydroxypropyl)-5-(2-methylpropanoylamino)piperidine-1-carboxylate
CID 112542661
1-[1-(2-hydroxyethyl)-5-(methylamino)piperidin-3-yl]propan-1-ol
CID 83990104
tert-butyl N-[1-(2-aminoethyl)-5-(1-hydroxypropyl)piperidin-3-yl]carbamate
CID 112544878
methyl N-[1-(cyanomethyl)-5-(1-hydroxypropyl)piperidin-3-yl]carbamate
CID 112543535
2-[3-(1-hydroxypropyl)-5-(propylamino)piperidin-1-yl]acetic acid
CID 83991296
N-[1-(cyanomethyl)-5-propan-2-ylpiperidin-3-yl]-2-methylpropanamide
CID 112542922
1-[1-(2-aminoethyl)-5-(ethylamino)piperidin-3-yl]propan-1-ol
CID 83990763
1-[1-ethyl-5-(ethylamino)piperidin-3-yl]propan-1-ol
CID 83990205
N-[5-(1-hydroxyethyl)-1-propanoylpiperidin-3-yl]-2-methylpropanamide
CID 112542715
N-[1-butan-2-yl-5-(1-hydroxypropyl)piperidin-3-yl]acetamide
CID 112541903
1-[5-(2,2-dimethylpropylamino)-1-propylpiperidin-3-yl]ethanol
CID 83994912

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-hydroxypropyl)-1-propylpiperidin-3-yl]-2-methylpropanamide?
The IUPAC name of N-[5-(1-hydroxypropyl)-1-propylpiperidin-3-yl]-2-methylpropanamide (CID 112542596) is N-[5-(1-hydroxypropyl)-1-propylpiperidin-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-[5-(1-hydroxypropyl)-1-propylpiperidin-3-yl]-2-methylpropanamide?
The canonical SMILES for N-[5-(1-hydroxypropyl)-1-propylpiperidin-3-yl]-2-methylpropanamide is CCCN1CC(NC(=O)C(C)C)CC(C(O)CC)C1.
What is the InChIKey of N-[5-(1-hydroxypropyl)-1-propylpiperidin-3-yl]-2-methylpropanamide?
The InChIKey is IDHBLTLEKIUHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-5-7-17-9-12(14(18)6-2)8-13(10-17)16-15(19)11(3)4/h11-14,18H,5-10H2,1-4H3,(H,16,19).
What are the key properties of N-[5-(1-hydroxypropyl)-1-propylpiperidin-3-yl]-2-methylpropanamide?
N-[5-(1-hydroxypropyl)-1-propylpiperidin-3-yl]-2-methylpropanamide has a molecular weight of 270.42 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-hydroxypropyl)-1-propylpiperidin-3-yl]-2-methylpropanamide is sourced from PubChem (CID 112542596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).