N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]cyclohexanecarboxamide

C20H29N3O2 — CID 110314916

IUPACN-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]cyclohexanecarboxamide
SMILESCN1CCN(CC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)CC1
InChIInChI=1S/C20H29N3O2/c1-22-11-13-23(14-12-22)15-19(24)16-7-9-18(10-8-16)21-20(25)17-5-3-2-4-6-17/h7-10,17H,2-6,11-15H2,1H3,(H,21,25)
InChIKeyXQUKYXHEGSGXGL-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.64
Rot. Bonds5

About N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]cyclohexanecarboxamide

N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]cyclohexanecarboxamide (PubChem CID 110314916) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]cyclohexanecarboxamide
PubChem CID110314916
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]cyclohexanecarboxamide
SMILESCN1CCN(CC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)CC1
InChIInChI=1S/C20H29N3O2/c1-22-11-13-23(14-12-22)15-19(24)16-7-9-18(10-8-16)21-20(25)17-5-3-2-4-6-17/h7-10,17H,2-6,11-15H2,1H3,(H,21,25)
InChIKeyXQUKYXHEGSGXGL-UHFFFAOYSA-N
XLogP2.64
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]acetamide
CID 14852210
2-methyl-N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]propanamide
CID 110314912
N-(4-acetylphenyl)-1-methylpiperidine-4-carboxamide
CID 59145520
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
4-[2-chloro-5-(cyclohexanecarbonylamino)phenyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide
CID 67371224
N-[4-(2-bromo-2-methylpropanoyl)phenyl]cyclohexanecarboxamide
CID 82258980
2-(4-methylpiperazin-1-yl)-1-[4-(methylsulfamoylamino)phenyl]ethanone
CID 110634329
N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-3-phenylpropanamide
CID 110314943
1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 3461738
4-(cyclohexanecarbonylamino)-N,N-dipropylbenzamide
CID 17196139
N-[4-(4-acetylanilino)phenyl]cyclohexanecarboxamide
CID 112988197
N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 23611154

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]cyclohexanecarboxamide (CID 110314916) is N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]cyclohexanecarboxamide is CN1CCN(CC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)CC1.
What is the InChIKey of N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]cyclohexanecarboxamide?
The InChIKey is XQUKYXHEGSGXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-22-11-13-23(14-12-22)15-19(24)16-7-9-18(10-8-16)21-20(25)17-5-3-2-4-6-17/h7-10,17H,2-6,11-15H2,1H3,(H,21,25).
What are the key properties of N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]cyclohexanecarboxamide?
N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]cyclohexanecarboxamide has a molecular weight of 343.47 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 110314916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).