N-[1-(cyanomethyl)-5-(2-cyclopropyl-2-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide

C17H29N3O2 — CID 112542487

IUPACN-[1-(cyanomethyl)-5-(2-cyclopropyl-2-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1CC(CC(O)C2CC2)CN(CC#N)C1
InChIInChI=1S/C17H29N3O2/c1-17(2,3)16(22)19-14-8-12(9-15(21)13-4-5-13)10-20(11-14)7-6-18/h12-15,21H,4-5,7-11H2,1-3H3,(H,19,22)
InChIKeyKHLUOOLIGATLQZ-UHFFFAOYSA-N
MW307.44 g/mol
LogP1.52
Rot. Bonds5

About N-[1-(cyanomethyl)-5-(2-cyclopropyl-2-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide

N-[1-(cyanomethyl)-5-(2-cyclopropyl-2-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide (PubChem CID 112542487) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-[1-(cyanomethyl)-5-(2-cyclopropyl-2-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-(cyanomethyl)-5-(2-cyclopropyl-2-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide
PubChem CID112542487
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC NameN-[1-(cyanomethyl)-5-(2-cyclopropyl-2-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1CC(CC(O)C2CC2)CN(CC#N)C1
InChIInChI=1S/C17H29N3O2/c1-17(2,3)16(22)19-14-8-12(9-15(21)13-4-5-13)10-20(11-14)7-6-18/h12-15,21H,4-5,7-11H2,1-3H3,(H,19,22)
InChIKeyKHLUOOLIGATLQZ-UHFFFAOYSA-N
XLogP1.52
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(cyanomethyl)-5-ethylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542473
N-[1-(cyanomethyl)-5-(2-hydroxybutyl)piperidin-3-yl]-2-methylpropanamide
CID 112542931
tert-butyl N-[5-(2-cyclopropyl-2-hydroxyethyl)-1-propylpiperidin-3-yl]carbamate
CID 112544349
N-[5-(2-hydroxyethyl)-1-(2-methylpropyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 112542163
methyl N-[1-(cyanomethyl)-5-(1-hydroxypropyl)piperidin-3-yl]carbamate
CID 112543535
tert-butyl N-[1-(cyanomethyl)-5-(1-hydroxyethyl)piperidin-3-yl]carbamate
CID 112544813
N-[1-(cyanomethyl)-5-propan-2-ylpiperidin-3-yl]-2-methylpropanamide
CID 112542922
N-[5-(cyclopropylmethyl)-1-propylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542144
N-[1-(1-cyclopropylethyl)-5-propylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542431
2-[1-(2-aminoethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]-1-cyclopropylethanol
CID 83995501
tert-butyl N-[1-cyclopropyl-5-(2-cyclopropyl-2-hydroxyethyl)piperidin-3-yl]carbamate
CID 112544633
methyl 2-[1-(cyanomethyl)-5-(methoxycarbonylamino)piperidin-3-yl]acetate
CID 112543529

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyanomethyl)-5-(2-cyclopropyl-2-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-(cyanomethyl)-5-(2-cyclopropyl-2-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide (CID 112542487) is N-[1-(cyanomethyl)-5-(2-cyclopropyl-2-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-(cyanomethyl)-5-(2-cyclopropyl-2-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-(cyanomethyl)-5-(2-cyclopropyl-2-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC1CC(CC(O)C2CC2)CN(CC#N)C1.
What is the InChIKey of N-[1-(cyanomethyl)-5-(2-cyclopropyl-2-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide?
The InChIKey is KHLUOOLIGATLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-17(2,3)16(22)19-14-8-12(9-15(21)13-4-5-13)10-20(11-14)7-6-18/h12-15,21H,4-5,7-11H2,1-3H3,(H,19,22).
What are the key properties of N-[1-(cyanomethyl)-5-(2-cyclopropyl-2-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide?
N-[1-(cyanomethyl)-5-(2-cyclopropyl-2-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide has a molecular weight of 307.44 g/mol, XLogP of 1.52, 5 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-cyclopropyl-2-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 112542487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).