N-(2-cyanoethyl)-N-propan-2-yl-4-propylpiperidine-4-carboxamide

C15H27N3O — CID 63128127

IUPACN-(2-cyanoethyl)-N-propan-2-yl-4-propylpiperidine-4-carboxamide
SMILESCCCC1(C(=O)N(CCC#N)C(C)C)CCNCC1
InChIInChI=1S/C15H27N3O/c1-4-6-15(7-10-17-11-8-15)14(19)18(13(2)3)12-5-9-16/h13,17H,4-8,10-12H2,1-3H3
InChIKeyRIUYUKLRXWUJOU-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.31
Rot. Bonds6

About N-(2-cyanoethyl)-N-propan-2-yl-4-propylpiperidine-4-carboxamide

N-(2-cyanoethyl)-N-propan-2-yl-4-propylpiperidine-4-carboxamide (PubChem CID 63128127) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-propan-2-yl-4-propylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-propan-2-yl-4-propylpiperidine-4-carboxamide
PubChem CID63128127
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-(2-cyanoethyl)-N-propan-2-yl-4-propylpiperidine-4-carboxamide
SMILESCCCC1(C(=O)N(CCC#N)C(C)C)CCNCC1
InChIInChI=1S/C15H27N3O/c1-4-6-15(7-10-17-11-8-15)14(19)18(13(2)3)12-5-9-16/h13,17H,4-8,10-12H2,1-3H3
InChIKeyRIUYUKLRXWUJOU-UHFFFAOYSA-N
XLogP2.31
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide
CID 63128126
N-(3-hydroxypropyl)-N-propan-2-yl-4-propylpiperidine-4-carboxamide
CID 63128773
N-(2-cyanoethyl)-4-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 63121904
N,N-bis(cyanomethyl)-4-propylpiperidine-4-carboxamide
CID 63127318
N-pentyl-N-propan-2-yl-3-propylpyrrolidine-3-carboxamide
CID 63144012
1-(aminomethyl)-N-(2-cyanoethyl)-N-propan-2-ylcyclopropane-1-carboxamide
CID 115452269
4-ethyl-N-pentyl-N-propan-2-ylpiperidine-4-carboxamide
CID 63128354
N-(2-cyanoethyl)-N,4-diethylpiperidine-4-carboxamide
CID 63128833
N-(2-amino-2-oxoethyl)-N-propan-2-yl-3-propylpyrrolidine-3-carboxamide
CID 63138504
N-ethyl-N-methyl-4-propylpiperidine-4-carboxamide
CID 63127606
N-(cyanomethyl)-4-propylpiperidine-4-carboxamide
CID 63129150
N-(2-cyanoethyl)-N-ethyl-3-propylpiperidine-3-carboxamide
CID 63131904

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-propan-2-yl-4-propylpiperidine-4-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-propan-2-yl-4-propylpiperidine-4-carboxamide (CID 63128127) is N-(2-cyanoethyl)-N-propan-2-yl-4-propylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-propan-2-yl-4-propylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-propan-2-yl-4-propylpiperidine-4-carboxamide is CCCC1(C(=O)N(CCC#N)C(C)C)CCNCC1.
What is the InChIKey of N-(2-cyanoethyl)-N-propan-2-yl-4-propylpiperidine-4-carboxamide?
The InChIKey is RIUYUKLRXWUJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-6-15(7-10-17-11-8-15)14(19)18(13(2)3)12-5-9-16/h13,17H,4-8,10-12H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-N-propan-2-yl-4-propylpiperidine-4-carboxamide?
N-(2-cyanoethyl)-N-propan-2-yl-4-propylpiperidine-4-carboxamide has a molecular weight of 265.40 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-propan-2-yl-4-propylpiperidine-4-carboxamide is sourced from PubChem (CID 63128127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).