N-(2-cyanoethyl)-3-[4-(dimethylamino)piperidin-1-yl]-N-methylpropanamide

C14H26N4O — CID 43585997

IUPACN-(2-cyanoethyl)-3-[4-(dimethylamino)piperidin-1-yl]-N-methylpropanamide
SMILESCN(CCC#N)C(=O)CCN1CCC(N(C)C)CC1
InChIInChI=1S/C14H26N4O/c1-16(2)13-5-10-18(11-6-13)12-7-14(19)17(3)9-4-8-15/h13H,4-7,9-12H2,1-3H3
InChIKeyASSFPRKXVNQUBP-UHFFFAOYSA-N
MW266.39 g/mol
LogP0.77
Rot. Bonds6

About N-(2-cyanoethyl)-3-[4-(dimethylamino)piperidin-1-yl]-N-methylpropanamide

N-(2-cyanoethyl)-3-[4-(dimethylamino)piperidin-1-yl]-N-methylpropanamide (PubChem CID 43585997) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N-(2-cyanoethyl)-3-[4-(dimethylamino)piperidin-1-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-3-[4-(dimethylamino)piperidin-1-yl]-N-methylpropanamide
PubChem CID43585997
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN-(2-cyanoethyl)-3-[4-(dimethylamino)piperidin-1-yl]-N-methylpropanamide
SMILESCN(CCC#N)C(=O)CCN1CCC(N(C)C)CC1
InChIInChI=1S/C14H26N4O/c1-16(2)13-5-10-18(11-6-13)12-7-14(19)17(3)9-4-8-15/h13H,4-7,9-12H2,1-3H3
InChIKeyASSFPRKXVNQUBP-UHFFFAOYSA-N
XLogP0.77
TPSA50.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-3-(4-ethylpiperazin-1-yl)-N-methylpropanamide
CID 43288810
N-(2-cyanoethyl)-3-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylpropanamide
CID 107223079
3-(3-azaspiro[5.5]undecan-3-yl)-N-(2-cyanoethyl)-N-methylpropanamide
CID 62937400
N-(2-cyanoethyl)-N-methyl-3-(2-methylpiperidin-1-yl)propanamide
CID 43288560
N-(2-cyanoethyl)-3-(3,4-dimethoxypyrrolidin-1-yl)-N-methylpropanamide
CID 103533519
3-[4-(dimethylamino)piperidin-1-yl]propanenitrile
CID 43430781
N-(2-cyanoethyl)-3-[3-(2-hydroxyethyl)piperidin-1-yl]-N-methylpropanamide
CID 103895030
N-(2-cyanoethyl)-N-methyl-3-(3,3,4-trimethylpiperazin-1-yl)propanamide
CID 63608815
N-(2-cyanoethyl)-N-methyl-3-(5-oxo-1,4-diazepan-1-yl)propanamide
CID 63004460
N-(2-cyanoethyl)-3-[2-cyanoethyl(cyclopropyl)amino]-N-methylpropanamide
CID 54996850
1-[3-[2-cyanoethyl(methyl)amino]-3-oxopropyl]pyrrolidine-2-carboxamide
CID 43288895
N-(2-cyanoethyl)-2-(3,4-dimethylpiperidin-1-yl)-N-methylacetamide
CID 115873414

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-3-[4-(dimethylamino)piperidin-1-yl]-N-methylpropanamide?
The IUPAC name of N-(2-cyanoethyl)-3-[4-(dimethylamino)piperidin-1-yl]-N-methylpropanamide (CID 43585997) is N-(2-cyanoethyl)-3-[4-(dimethylamino)piperidin-1-yl]-N-methylpropanamide.
What is the SMILES notation for N-(2-cyanoethyl)-3-[4-(dimethylamino)piperidin-1-yl]-N-methylpropanamide?
The canonical SMILES for N-(2-cyanoethyl)-3-[4-(dimethylamino)piperidin-1-yl]-N-methylpropanamide is CN(CCC#N)C(=O)CCN1CCC(N(C)C)CC1.
What is the InChIKey of N-(2-cyanoethyl)-3-[4-(dimethylamino)piperidin-1-yl]-N-methylpropanamide?
The InChIKey is ASSFPRKXVNQUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-16(2)13-5-10-18(11-6-13)12-7-14(19)17(3)9-4-8-15/h13H,4-7,9-12H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-3-[4-(dimethylamino)piperidin-1-yl]-N-methylpropanamide?
N-(2-cyanoethyl)-3-[4-(dimethylamino)piperidin-1-yl]-N-methylpropanamide has a molecular weight of 266.39 g/mol, XLogP of 0.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-3-[4-(dimethylamino)piperidin-1-yl]-N-methylpropanamide is sourced from PubChem (CID 43585997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).