4-(aminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexane-1-carboxamide

C16H31N3O — CID 104963837

IUPAC4-(aminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexane-1-carboxamide
SMILESCN1CCC(CCNC(=O)C2CCC(CN)CC2)CC1
InChIInChI=1S/C16H31N3O/c1-19-10-7-13(8-11-19)6-9-18-16(20)15-4-2-14(12-17)3-5-15/h13-15H,2-12,17H2,1H3,(H,18,20)
InChIKeyJUCQGSQHUCEMJV-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.60
Rot. Bonds5

About 4-(aminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexane-1-carboxamide

4-(aminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 104963837) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID104963837
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name4-(aminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexane-1-carboxamide
SMILESCN1CCC(CCNC(=O)C2CCC(CN)CC2)CC1
InChIInChI=1S/C16H31N3O/c1-19-10-7-13(8-11-19)6-9-18-16(20)15-4-2-14(12-17)3-5-15/h13-15H,2-12,17H2,1H3,(H,18,20)
InChIKeyJUCQGSQHUCEMJV-UHFFFAOYSA-N
XLogP1.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[2-(oxan-4-yl)ethyl]cyclohexane-1-carboxamide
CID 115151067
4-(aminomethyl)-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide
CID 104963779
N-(2-aminoethyl)-1-methylpiperidine-4-carboxamide
CID 53215741
ethane;N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
CID 145305078
ethyl 2-[2-(1-methylpiperidin-4-yl)ethylamino]-2-oxoacetate
CID 114516531
ethane;(1-methylpiperidin-4-yl)methanamine
CID 91043349
4-(aminomethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide;hydrochloride
CID 165437684
4-(aminomethyl)-N-(3-aminopropyl)cyclohexane-1-carboxamide
CID 79527493
4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride
CID 119865945
5-amino-2-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexane-1-carboxamide
CID 114516722
methyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]acetate
CID 79527105
(2S)-2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 103814143

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexane-1-carboxamide (CID 104963837) is 4-(aminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexane-1-carboxamide is CN1CCC(CCNC(=O)C2CCC(CN)CC2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is JUCQGSQHUCEMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-19-10-7-13(8-11-19)6-9-18-16(20)15-4-2-14(12-17)3-5-15/h13-15H,2-12,17H2,1H3,(H,18,20).
What are the key properties of 4-(aminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexane-1-carboxamide?
4-(aminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 281.44 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 104963837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).