N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-3-methylpiperidine-2-carboxamide

C15H21N3O2 — CID 107067806

IUPACN-(2-cyanoethyl)-N-(furan-2-ylmethyl)-3-methylpiperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)N(CCC#N)Cc1ccco1
InChIInChI=1S/C15H21N3O2/c1-12-5-2-8-17-14(12)15(19)18(9-4-7-16)11-13-6-3-10-20-13/h3,6,10,12,14,17H,2,4-5,8-9,11H2,1H3
InChIKeyZEERMYCJCDZRCW-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.91
Rot. Bonds5

About N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-3-methylpiperidine-2-carboxamide

N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-3-methylpiperidine-2-carboxamide (PubChem CID 107067806) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-3-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(furan-2-ylmethyl)-3-methylpiperidine-2-carboxamide
PubChem CID107067806
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-(2-cyanoethyl)-N-(furan-2-ylmethyl)-3-methylpiperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)N(CCC#N)Cc1ccco1
InChIInChI=1S/C15H21N3O2/c1-12-5-2-8-17-14(12)15(19)18(9-4-7-16)11-13-6-3-10-20-13/h3,6,10,12,14,17H,2,4-5,8-9,11H2,1H3
InChIKeyZEERMYCJCDZRCW-UHFFFAOYSA-N
XLogP1.91
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)cyclopentane-1-carboxamide
CID 64823217
4-(aminomethyl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide
CID 79512015
4-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)oxolane-3-carboxamide
CID 66236653
(2S)-N,N-bis(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 61164821
2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 63679913
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
CID 60520035
N,N-dibenzyl-3-methylpiperidine-2-carboxamide
CID 130158118
2-(2-bicyclo[2.2.1]heptanyl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 60519887
2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-methylbutanamide
CID 79805676
3-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-methylpropanamide
CID 62670366
2-(tert-butylamino)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 78923666
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 60520037

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-3-methylpiperidine-2-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-3-methylpiperidine-2-carboxamide (CID 107067806) is N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-3-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-3-methylpiperidine-2-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-3-methylpiperidine-2-carboxamide is CC1CCCNC1C(=O)N(CCC#N)Cc1ccco1.
What is the InChIKey of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-3-methylpiperidine-2-carboxamide?
The InChIKey is ZEERMYCJCDZRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-12-5-2-8-17-14(12)15(19)18(9-4-7-16)11-13-6-3-10-20-13/h3,6,10,12,14,17H,2,4-5,8-9,11H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-3-methylpiperidine-2-carboxamide?
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-3-methylpiperidine-2-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-3-methylpiperidine-2-carboxamide is sourced from PubChem (CID 107067806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).