1-amino-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]cyclohexane-1-carboxamide

C20H30ClN3O2 — CID 119891161

IUPAC1-amino-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)CCCCC1
InChIInChI=1S/C20H30ClN3O2/c21-16-4-6-18(7-5-16)26-15-14-24-12-8-17(9-13-24)23-19(25)20(22)10-2-1-3-11-20/h4-7,17H,1-3,8-15,22H2,(H,23,25)
InChIKeyNXIZJVRHIRBYOU-UHFFFAOYSA-N
MW379.93 g/mol
LogP2.96
Rot. Bonds6

About 1-amino-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]cyclohexane-1-carboxamide

1-amino-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]cyclohexane-1-carboxamide (PubChem CID 119891161) has the molecular formula C20H30ClN3O2 and a molecular weight of 379.93 g/mol. Its IUPAC name is 1-amino-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]cyclohexane-1-carboxamide
PubChem CID119891161
Molecular FormulaC20H30ClN3O2
Molecular Weight379.93 g/mol
Exact Mass379.20
IUPAC Name1-amino-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)CCCCC1
InChIInChI=1S/C20H30ClN3O2/c21-16-4-6-18(7-5-16)26-15-14-24-12-8-17(9-13-24)23-19(25)20(22)10-2-1-3-11-20/h4-7,17H,1-3,8-15,22H2,(H,23,25)
InChIKeyNXIZJVRHIRBYOU-UHFFFAOYSA-N
XLogP2.96
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.93
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]cyclopropane-1-carboxamide;dihydrochloride
CID 119891176
2-amino-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]acetamide
CID 119891153
1-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 119835913
cis-(1S,2R)-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]-2-methylcyclopropane-1-carboxamide
CID 95345732
trans-(1S,2S)-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]-2-methylcyclopropane-1-carboxamide
CID 95345733
N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide
CID 49447371
(2R)-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]-2-hydroxy-2-phenylacetamide
CID 138996283
1-amino-N-[2-(4-chlorophenoxy)ethyl]cyclopentane-1-carboxamide
CID 119271539
1-amino-N-[2-(4-chlorophenoxy)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119271538
1-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide
CID 119883492
1-(4-chlorophenyl)-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide
CID 100665537
1-amino-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119879160

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]cyclohexane-1-carboxamide (CID 119891161) is 1-amino-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]cyclohexane-1-carboxamide is NC1(C(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)CCCCC1.
What is the InChIKey of 1-amino-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]cyclohexane-1-carboxamide?
The InChIKey is NXIZJVRHIRBYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClN3O2/c21-16-4-6-18(7-5-16)26-15-14-24-12-8-17(9-13-24)23-19(25)20(22)10-2-1-3-11-20/h4-7,17H,1-3,8-15,22H2,(H,23,25).
What are the key properties of 1-amino-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]cyclohexane-1-carboxamide?
1-amino-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]cyclohexane-1-carboxamide has a molecular weight of 379.93 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119891161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).