1-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexane-1-carboxamide

C20H32N4O — CID 119903422

IUPAC1-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexane-1-carboxamide
SMILESCN(CCN1CCN(c2ccccc2)CC1)C(=O)C1(N)CCCCC1
InChIInChI=1S/C20H32N4O/c1-22(19(25)20(21)10-6-3-7-11-20)12-13-23-14-16-24(17-15-23)18-8-4-2-5-9-18/h2,4-5,8-9H,3,6-7,10-17,21H2,1H3
InChIKeyKOYCHLWQWDHTCH-UHFFFAOYSA-N
MW344.50 g/mol
LogP1.93
Rot. Bonds5

About 1-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexane-1-carboxamide

1-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 119903422) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is 1-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID119903422
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name1-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexane-1-carboxamide
SMILESCN(CCN1CCN(c2ccccc2)CC1)C(=O)C1(N)CCCCC1
InChIInChI=1S/C20H32N4O/c1-22(19(25)20(21)10-6-3-7-11-20)12-13-23-14-16-24(17-15-23)18-8-4-2-5-9-18/h2,4-5,8-9H,3,6-7,10-17,21H2,1H3
InChIKeyKOYCHLWQWDHTCH-UHFFFAOYSA-N
XLogP1.93
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide
CID 119903379
2-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide;trihydrochloride
CID 119903413
1-amino-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]cyclopentane-1-carboxamide
CID 119903462
1-amino-N-methyl-N-[2-(N-methylanilino)ethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119881701
tert-butyl N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]carbamate
CID 176742069
(2S)-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide
CID 122081644
3-(4-methylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 110853147
1-(4-methylpiperazin-1-yl)-3-(4-phenylpiperazin-1-yl)propan-1-one
CID 109017216
N-amino-N-[2-(4-phenylpiperazin-1-yl)ethyl]formamide
CID 54091291
N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide;trihydrochloride
CID 120983095
1-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylcyclohexane-1-carboxamide;dihydrochloride
CID 119884983
N-butyl-N-methyl-1-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108978160

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexane-1-carboxamide (CID 119903422) is 1-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexane-1-carboxamide is CN(CCN1CCN(c2ccccc2)CC1)C(=O)C1(N)CCCCC1.
What is the InChIKey of 1-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is KOYCHLWQWDHTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-22(19(25)20(21)10-6-3-7-11-20)12-13-23-14-16-24(17-15-23)18-8-4-2-5-9-18/h2,4-5,8-9H,3,6-7,10-17,21H2,1H3.
What are the key properties of 1-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexane-1-carboxamide?
1-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 344.50 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119903422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).