N-(2-cyanoethyl)-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide

C14H25N3O — CID 63128126

IUPACN-(2-cyanoethyl)-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCCC1(C(=O)N(CCC#N)C(C)C)CCNCC1
InChIInChI=1S/C14H25N3O/c1-4-14(6-9-16-10-7-14)13(18)17(12(2)3)11-5-8-15/h12,16H,4-7,9-11H2,1-3H3
InChIKeyBFJNNLWAVPAQQZ-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.92
Rot. Bonds5

About N-(2-cyanoethyl)-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide

N-(2-cyanoethyl)-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 63128126) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-(2-cyanoethyl)-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID63128126
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-(2-cyanoethyl)-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCCC1(C(=O)N(CCC#N)C(C)C)CCNCC1
InChIInChI=1S/C14H25N3O/c1-4-14(6-9-16-10-7-14)13(18)17(12(2)3)11-5-8-15/h12,16H,4-7,9-11H2,1-3H3
InChIKeyBFJNNLWAVPAQQZ-UHFFFAOYSA-N
XLogP1.92
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-N-propan-2-yl-4-propylpiperidine-4-carboxamide
CID 63128127
N-(2-cyanoethyl)-4-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 63121904
4-ethyl-N-pentyl-N-propan-2-ylpiperidine-4-carboxamide
CID 63128354
N-(2-cyanoethyl)-N,4-diethylpiperidine-4-carboxamide
CID 63128833
1-(aminomethyl)-N-(2-cyanoethyl)-N-propan-2-ylcyclopropane-1-carboxamide
CID 115452269
methyl 2-[(4-ethylpiperidine-4-carbonyl)-propan-2-ylamino]acetate
CID 63128303
3-ethyl-N-(2-methylpropyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 63144055
N-(3-hydroxypropyl)-N-propan-2-yl-4-propylpiperidine-4-carboxamide
CID 63128773
N-(2-cyanoethyl)-3-ethyl-N-(2-methylpropyl)piperidine-3-carboxamide
CID 63131514
N-(2-cyanoethyl)-3-ethyl-N-phenylpyrrolidine-3-carboxamide
CID 63138343
N,N-bis(cyanomethyl)-3-ethylpyrrolidine-3-carboxamide
CID 63140597
methyl 2-[(3-ethylpyrrolidine-3-carbonyl)-propan-2-ylamino]acetate
CID 55164952

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide (CID 63128126) is N-(2-cyanoethyl)-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide is CCC1(C(=O)N(CCC#N)C(C)C)CCNCC1.
What is the InChIKey of N-(2-cyanoethyl)-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is BFJNNLWAVPAQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-14(6-9-16-10-7-14)13(18)17(12(2)3)11-5-8-15/h12,16H,4-7,9-11H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide?
N-(2-cyanoethyl)-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 251.37 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 63128126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).