1-amino-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]cyclohexane-1-carboxamide

C20H32N4O — CID 119901588

IUPAC1-amino-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]cyclohexane-1-carboxamide
SMILESCCN1CCN(Cc2ccc(NC(=O)C3(N)CCCCC3)cc2)CC1
InChIInChI=1S/C20H32N4O/c1-2-23-12-14-24(15-13-23)16-17-6-8-18(9-7-17)22-19(25)20(21)10-4-3-5-11-20/h6-9H,2-5,10-16,21H2,1H3,(H,22,25)
InChIKeyOWKCLEJNUUSGHV-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.42
Rot. Bonds5

About 1-amino-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]cyclohexane-1-carboxamide

1-amino-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]cyclohexane-1-carboxamide (PubChem CID 119901588) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is 1-amino-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]cyclohexane-1-carboxamide
PubChem CID119901588
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name1-amino-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]cyclohexane-1-carboxamide
SMILESCCN1CCN(Cc2ccc(NC(=O)C3(N)CCCCC3)cc2)CC1
InChIInChI=1S/C20H32N4O/c1-2-23-12-14-24(15-13-23)16-17-6-8-18(9-7-17)22-19(25)20(21)10-4-3-5-11-20/h6-9H,2-5,10-16,21H2,1H3,(H,22,25)
InChIKeyOWKCLEJNUUSGHV-UHFFFAOYSA-N
XLogP2.42
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-(4-ethylphenyl)cyclopentane-1-carboxamide
CID 60867224
1-amino-N-(4-propylphenyl)cyclopentane-1-carboxamide
CID 54925144
1-amino-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide
CID 113397756
3-amino-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-methylbutanamide;trihydrochloride
CID 120504393
1-amino-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119285129
1-amino-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119835798
3-amino-N-[4-(pyrrolidin-1-ylmethyl)phenyl]oxolane-3-carboxamide
CID 64894153
1-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119867290
ethyl N-[4-[(1-aminocyclopentanecarbonyl)amino]phenyl]carbamate
CID 60854428
1-amino-N-[4-(2-methylsulfanylethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119315486
1-amino-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]cyclohexane-1-carboxamide
CID 119283363
1-(3-bromophenyl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide
CID 55715107

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]cyclohexane-1-carboxamide (CID 119901588) is 1-amino-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]cyclohexane-1-carboxamide is CCN1CCN(Cc2ccc(NC(=O)C3(N)CCCCC3)cc2)CC1.
What is the InChIKey of 1-amino-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]cyclohexane-1-carboxamide?
The InChIKey is OWKCLEJNUUSGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-2-23-12-14-24(15-13-23)16-17-6-8-18(9-7-17)22-19(25)20(21)10-4-3-5-11-20/h6-9H,2-5,10-16,21H2,1H3,(H,22,25).
What are the key properties of 1-amino-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]cyclohexane-1-carboxamide?
1-amino-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]cyclohexane-1-carboxamide has a molecular weight of 344.50 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119901588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).