N-[1-(cyanomethyl)-5-(2-hydroxybutyl)piperidin-3-yl]-2-methylpropanamide

C15H27N3O2 — CID 112542931

IUPACN-[1-(cyanomethyl)-5-(2-hydroxybutyl)piperidin-3-yl]-2-methylpropanamide
SMILESCCC(O)CC1CC(NC(=O)C(C)C)CN(CC#N)C1
InChIInChI=1S/C15H27N3O2/c1-4-14(19)8-12-7-13(17-15(20)11(2)3)10-18(9-12)6-5-16/h11-14,19H,4,6-10H2,1-3H3,(H,17,20)
InChIKeyANLYDZFZOVRUKZ-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.13
Rot. Bonds6

About N-[1-(cyanomethyl)-5-(2-hydroxybutyl)piperidin-3-yl]-2-methylpropanamide

N-[1-(cyanomethyl)-5-(2-hydroxybutyl)piperidin-3-yl]-2-methylpropanamide (PubChem CID 112542931) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[1-(cyanomethyl)-5-(2-hydroxybutyl)piperidin-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(cyanomethyl)-5-(2-hydroxybutyl)piperidin-3-yl]-2-methylpropanamide
PubChem CID112542931
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-[1-(cyanomethyl)-5-(2-hydroxybutyl)piperidin-3-yl]-2-methylpropanamide
SMILESCCC(O)CC1CC(NC(=O)C(C)C)CN(CC#N)C1
InChIInChI=1S/C15H27N3O2/c1-4-14(19)8-12-7-13(17-15(20)11(2)3)10-18(9-12)6-5-16/h11-14,19H,4,6-10H2,1-3H3,(H,17,20)
InChIKeyANLYDZFZOVRUKZ-UHFFFAOYSA-N
XLogP1.13
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[1-(cyanomethyl)-5-(2-hydroxybutyl)piperidin-3-yl]-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(2,2-difluoroethylamino)-5-(2-hydroxybutyl)piperidin-1-yl]acetonitrile
CID 83993358
N-[1-(cyanomethyl)-5-propan-2-ylpiperidin-3-yl]-2-methylpropanamide
CID 112542922
N-[1-(cyanomethyl)-5-(2-cyclopropyl-2-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 112542487
N-[5-(2-hydroxybutyl)-1-(2-hydroxyethyl)piperidin-3-yl]acetamide
CID 112542070
N-[(3R)-1-(cyanomethyl)pyrrolidin-3-yl]-2-methylpropanamide
CID 156532471
N-[1-(cyanomethyl)-5-ethylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542473
methyl N-[1-(cyanomethyl)-5-(1-hydroxypropyl)piperidin-3-yl]carbamate
CID 112543535
2-[3-(2-hydroxybutyl)-5-(2-methylpropylamino)piperidin-1-yl]acetamide
CID 83994764
methyl 2-[1-(cyanomethyl)-5-(methoxycarbonylamino)piperidin-3-yl]acetate
CID 112543529
1-[5-(ethylamino)-1-propylpiperidin-3-yl]butan-2-ol
CID 83990235
tert-butyl N-[1-(2-amino-2-oxoethyl)-5-(2-hydroxybutyl)piperidin-3-yl]carbamate
CID 112544838
methyl 2-[1-(cyanomethyl)-5-(ethoxycarbonylamino)piperidin-3-yl]acetate
CID 112544170

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyanomethyl)-5-(2-hydroxybutyl)piperidin-3-yl]-2-methylpropanamide?
The IUPAC name of N-[1-(cyanomethyl)-5-(2-hydroxybutyl)piperidin-3-yl]-2-methylpropanamide (CID 112542931) is N-[1-(cyanomethyl)-5-(2-hydroxybutyl)piperidin-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-(cyanomethyl)-5-(2-hydroxybutyl)piperidin-3-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-(cyanomethyl)-5-(2-hydroxybutyl)piperidin-3-yl]-2-methylpropanamide is CCC(O)CC1CC(NC(=O)C(C)C)CN(CC#N)C1.
What is the InChIKey of N-[1-(cyanomethyl)-5-(2-hydroxybutyl)piperidin-3-yl]-2-methylpropanamide?
The InChIKey is ANLYDZFZOVRUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-4-14(19)8-12-7-13(17-15(20)11(2)3)10-18(9-12)6-5-16/h11-14,19H,4,6-10H2,1-3H3,(H,17,20).
What are the key properties of N-[1-(cyanomethyl)-5-(2-hydroxybutyl)piperidin-3-yl]-2-methylpropanamide?
N-[1-(cyanomethyl)-5-(2-hydroxybutyl)piperidin-3-yl]-2-methylpropanamide has a molecular weight of 281.40 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyanomethyl)-5-(2-hydroxybutyl)piperidin-3-yl]-2-methylpropanamide is sourced from PubChem (CID 112542931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).