N-(2-cyanoethyl)-2-(4-hydroxypiperidin-1-yl)-N-methylpropanamide

C12H21N3O2 — CID 110880195

IUPACN-(2-cyanoethyl)-2-(4-hydroxypiperidin-1-yl)-N-methylpropanamide
SMILESCC(C(=O)N(C)CCC#N)N1CCC(O)CC1
InChIInChI=1S/C12H21N3O2/c1-10(12(17)14(2)7-3-6-13)15-8-4-11(16)5-9-15/h10-11,16H,3-5,7-9H2,1-2H3
InChIKeyAMUKRBJYUWURDE-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.20
Rot. Bonds4

About N-(2-cyanoethyl)-2-(4-hydroxypiperidin-1-yl)-N-methylpropanamide

N-(2-cyanoethyl)-2-(4-hydroxypiperidin-1-yl)-N-methylpropanamide (PubChem CID 110880195) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(4-hydroxypiperidin-1-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(4-hydroxypiperidin-1-yl)-N-methylpropanamide
PubChem CID110880195
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-(2-cyanoethyl)-2-(4-hydroxypiperidin-1-yl)-N-methylpropanamide
SMILESCC(C(=O)N(C)CCC#N)N1CCC(O)CC1
InChIInChI=1S/C12H21N3O2/c1-10(12(17)14(2)7-3-6-13)15-8-4-11(16)5-9-15/h10-11,16H,3-5,7-9H2,1-2H3
InChIKeyAMUKRBJYUWURDE-UHFFFAOYSA-N
XLogP0.20
TPSA67.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-N-methyl-2-(4-phenylpiperidin-1-yl)propanamide
CID 86921194
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-cyanoethyl)-N-methylpropanamide
CID 86909810
1-[1-[1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 128976128
N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide
CID 111333757
(2R)-2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(2-cyanoethyl)-N-methylpropanamide
CID 124831914
(2S)-2-[(2R)-2-(4-bromophenyl)morpholin-4-yl]-N-(2-cyanoethyl)-N-methylpropanamide
CID 124569493
N-(2-cyanoethyl)-N-methyl-2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide
CID 78860502
2-(4-hydroxypiperidin-1-yl)-N,N-bis(prop-2-enyl)propanamide
CID 110884233
N-(2-cyanoethyl)-2-(3,4-dimethylpiperidin-1-yl)-N-methylacetamide
CID 115873414
(3R)-1-[2-cyanoethyl(methyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120881
(2S)-2-amino-N-(2-cyanoethyl)-N,3-dimethylpentanamide
CID 61174046
(2S)-2-(azepan-1-yl)-N-[3-(cyclopropylamino)-3-oxopropyl]-N-methylpropanamide
CID 97218782

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(4-hydroxypiperidin-1-yl)-N-methylpropanamide?
The IUPAC name of N-(2-cyanoethyl)-2-(4-hydroxypiperidin-1-yl)-N-methylpropanamide (CID 110880195) is N-(2-cyanoethyl)-2-(4-hydroxypiperidin-1-yl)-N-methylpropanamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(4-hydroxypiperidin-1-yl)-N-methylpropanamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(4-hydroxypiperidin-1-yl)-N-methylpropanamide is CC(C(=O)N(C)CCC#N)N1CCC(O)CC1.
What is the InChIKey of N-(2-cyanoethyl)-2-(4-hydroxypiperidin-1-yl)-N-methylpropanamide?
The InChIKey is AMUKRBJYUWURDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-10(12(17)14(2)7-3-6-13)15-8-4-11(16)5-9-15/h10-11,16H,3-5,7-9H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-2-(4-hydroxypiperidin-1-yl)-N-methylpropanamide?
N-(2-cyanoethyl)-2-(4-hydroxypiperidin-1-yl)-N-methylpropanamide has a molecular weight of 239.32 g/mol, XLogP of 0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(4-hydroxypiperidin-1-yl)-N-methylpropanamide is sourced from PubChem (CID 110880195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).