1-[4-cyano-4-(cyclopropylamino)hexyl]piperidine-4-carboxamide

C16H28N4O — CID 106802789

IUPAC1-[4-cyano-4-(cyclopropylamino)hexyl]piperidine-4-carboxamide
SMILESCCC(C#N)(CCCN1CCC(C(N)=O)CC1)NC1CC1
InChIInChI=1S/C16H28N4O/c1-2-16(12-17,19-14-4-5-14)8-3-9-20-10-6-13(7-11-20)15(18)21/h13-14,19H,2-11H2,1H3,(H2,18,21)
InChIKeyOBKXZNIYKOGRII-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.39
Rot. Bonds8

About 1-[4-cyano-4-(cyclopropylamino)hexyl]piperidine-4-carboxamide

1-[4-cyano-4-(cyclopropylamino)hexyl]piperidine-4-carboxamide (PubChem CID 106802789) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-[4-cyano-4-(cyclopropylamino)hexyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-cyano-4-(cyclopropylamino)hexyl]piperidine-4-carboxamide
PubChem CID106802789
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name1-[4-cyano-4-(cyclopropylamino)hexyl]piperidine-4-carboxamide
SMILESCCC(C#N)(CCCN1CCC(C(N)=O)CC1)NC1CC1
InChIInChI=1S/C16H28N4O/c1-2-16(12-17,19-14-4-5-14)8-3-9-20-10-6-13(7-11-20)15(18)21/h13-14,19H,2-11H2,1H3,(H2,18,21)
InChIKeyOBKXZNIYKOGRII-UHFFFAOYSA-N
XLogP1.39
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-2-ethyl-5-(3-ethylpyrrolidin-1-yl)pentanenitrile
CID 106803966
2-(cyclopropylamino)-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-ethylpentanenitrile
CID 106804019
1-octadecylpiperidine-4-carboxamide
CID 4134920
5-(4-tert-butylpiperidin-1-yl)-2-ethyl-2-(methylamino)pentanenitrile
CID 106803491
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(cyclopropylamino)-2-ethylpentanenitrile
CID 106803784
5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(cyclopropylamino)-2-ethylpentanenitrile
CID 106803254
2-(cyclopropylamino)-2-ethyl-5-methylsulfanylpentanenitrile
CID 106805271
1-propylpiperidine-4-carboxamide
CID 18678413
1-(3,3-dimethylbutyl)piperidine-4-carboxamide
CID 20792956
2-ethyl-2-(propylamino)-5-(4-propylpiperidin-1-yl)pentanenitrile
CID 106803501
2-(cyclopropylamino)-5-(dibutylamino)-2-ethylpentanenitrile
CID 106802939
5-tert-butylsulfanyl-2-(cyclopropylamino)-2-ethylpentanenitrile
CID 106805078

Frequently Asked Questions

What is the IUPAC name of 1-[4-cyano-4-(cyclopropylamino)hexyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-cyano-4-(cyclopropylamino)hexyl]piperidine-4-carboxamide (CID 106802789) is 1-[4-cyano-4-(cyclopropylamino)hexyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-cyano-4-(cyclopropylamino)hexyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-cyano-4-(cyclopropylamino)hexyl]piperidine-4-carboxamide is CCC(C#N)(CCCN1CCC(C(N)=O)CC1)NC1CC1.
What is the InChIKey of 1-[4-cyano-4-(cyclopropylamino)hexyl]piperidine-4-carboxamide?
The InChIKey is OBKXZNIYKOGRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-2-16(12-17,19-14-4-5-14)8-3-9-20-10-6-13(7-11-20)15(18)21/h13-14,19H,2-11H2,1H3,(H2,18,21).
What are the key properties of 1-[4-cyano-4-(cyclopropylamino)hexyl]piperidine-4-carboxamide?
1-[4-cyano-4-(cyclopropylamino)hexyl]piperidine-4-carboxamide has a molecular weight of 292.43 g/mol, XLogP of 1.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cyano-4-(cyclopropylamino)hexyl]piperidine-4-carboxamide is sourced from PubChem (CID 106802789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).