N-(2-cyanoethyl)-N-ethyl-3-piperidin-4-yloxypropanamide

C13H23N3O2 — CID 63875978

IUPACN-(2-cyanoethyl)-N-ethyl-3-piperidin-4-yloxypropanamide
SMILESCCN(CCC#N)C(=O)CCOC1CCNCC1
InChIInChI=1S/C13H23N3O2/c1-2-16(10-3-7-14)13(17)6-11-18-12-4-8-15-9-5-12/h12,15H,2-6,8-11H2,1H3
InChIKeyVPEJHRLNFKVXMW-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.91
Rot. Bonds7

About N-(2-cyanoethyl)-N-ethyl-3-piperidin-4-yloxypropanamide

N-(2-cyanoethyl)-N-ethyl-3-piperidin-4-yloxypropanamide (PubChem CID 63875978) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-ethyl-3-piperidin-4-yloxypropanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-ethyl-3-piperidin-4-yloxypropanamide
PubChem CID63875978
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-(2-cyanoethyl)-N-ethyl-3-piperidin-4-yloxypropanamide
SMILESCCN(CCC#N)C(=O)CCOC1CCNCC1
InChIInChI=1S/C13H23N3O2/c1-2-16(10-3-7-14)13(17)6-11-18-12-4-8-15-9-5-12/h12,15H,2-6,8-11H2,1H3
InChIKeyVPEJHRLNFKVXMW-UHFFFAOYSA-N
XLogP0.91
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-N-ethyl-3-methoxypropanamide
CID 62589868
N-butan-2-yl-N-methyl-3-piperidin-4-yloxypropanamide
CID 63875957
N-(2-cyanoethyl)-N-ethylheptanamide
CID 115610951
N-ethyl-N-(1-methoxypropan-2-yl)-3-piperidin-4-yloxypropanamide
CID 63876854
N-methyl-3-piperidin-4-yloxy-N-propan-2-ylpropanamide
CID 63876646
N-(2-hydroxyethyl)-N-pentan-3-yl-3-piperidin-4-yloxypropanamide
CID 63904113
1,1-diethyl-3-(2-piperidin-4-yloxyethyl)urea
CID 79161980
N-(2-methylpropyl)-3-piperidin-4-yloxy-N-(2,2,2-trifluoroethyl)propanamide
CID 63877176
N-ethyl-3-piperidin-4-yl-N-propylpropanamide
CID 62210157
N-[2-[ethyl(methyl)amino]ethyl]-3-piperidin-4-yloxypropanamide
CID 63902801
N-(3-hydroxypropyl)-3-piperidin-4-yloxy-N-propan-2-ylpropanamide
CID 63877523
N-[(1-hydroxycyclopentyl)methyl]-N-methyl-3-piperidin-4-yloxypropanamide
CID 114948943

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-ethyl-3-piperidin-4-yloxypropanamide?
The IUPAC name of N-(2-cyanoethyl)-N-ethyl-3-piperidin-4-yloxypropanamide (CID 63875978) is N-(2-cyanoethyl)-N-ethyl-3-piperidin-4-yloxypropanamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-ethyl-3-piperidin-4-yloxypropanamide?
The canonical SMILES for N-(2-cyanoethyl)-N-ethyl-3-piperidin-4-yloxypropanamide is CCN(CCC#N)C(=O)CCOC1CCNCC1.
What is the InChIKey of N-(2-cyanoethyl)-N-ethyl-3-piperidin-4-yloxypropanamide?
The InChIKey is VPEJHRLNFKVXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-2-16(10-3-7-14)13(17)6-11-18-12-4-8-15-9-5-12/h12,15H,2-6,8-11H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-ethyl-3-piperidin-4-yloxypropanamide?
N-(2-cyanoethyl)-N-ethyl-3-piperidin-4-yloxypropanamide has a molecular weight of 253.35 g/mol, XLogP of 0.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-ethyl-3-piperidin-4-yloxypropanamide is sourced from PubChem (CID 63875978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).