1-(4-methylpiperazin-1-yl)-2-[[1-(naphthalen-2-ylmethyl)-2-phenylcyclopropyl]amino]ethanone

C27H31N3O — CID 90204196

IUPAC1-(4-methylpiperazin-1-yl)-2-[[1-(naphthalen-2-ylmethyl)-2-phenylcyclopropyl]amino]ethanone
SMILESCN1CCN(C(=O)CNC2(Cc3ccc4ccccc4c3)CC2c2ccccc2)CC1
InChIInChI=1S/C27H31N3O/c1-29-13-15-30(16-14-29)26(31)20-28-27(19-25(27)23-8-3-2-4-9-23)18-21-11-12-22-7-5-6-10-24(22)17-21/h2-12,17,25,28H,13-16,18-20H2,1H3
InChIKeyCTUJHLKIGBSNAL-UHFFFAOYSA-N
MW413.57 g/mol
LogP3.67
Rot. Bonds6

About 1-(4-methylpiperazin-1-yl)-2-[[1-(naphthalen-2-ylmethyl)-2-phenylcyclopropyl]amino]ethanone

1-(4-methylpiperazin-1-yl)-2-[[1-(naphthalen-2-ylmethyl)-2-phenylcyclopropyl]amino]ethanone (PubChem CID 90204196) has the molecular formula C27H31N3O and a molecular weight of 413.57 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-[[1-(naphthalen-2-ylmethyl)-2-phenylcyclopropyl]amino]ethanone.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2-[[1-(naphthalen-2-ylmethyl)-2-phenylcyclopropyl]amino]ethanone
PubChem CID90204196
Molecular FormulaC27H31N3O
Molecular Weight413.57 g/mol
Exact Mass413.25
IUPAC Name1-(4-methylpiperazin-1-yl)-2-[[1-(naphthalen-2-ylmethyl)-2-phenylcyclopropyl]amino]ethanone
SMILESCN1CCN(C(=O)CNC2(Cc3ccc4ccccc4c3)CC2c2ccccc2)CC1
InChIInChI=1S/C27H31N3O/c1-29-13-15-30(16-14-29)26(31)20-28-27(19-25(27)23-8-3-2-4-9-23)18-21-11-12-22-7-5-6-10-24(22)17-21/h2-12,17,25,28H,13-16,18-20H2,1H3
InChIKeyCTUJHLKIGBSNAL-UHFFFAOYSA-N
XLogP3.67
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.57
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-methylpiperazin-1-yl)-2-[[1-(naphthalen-2-ylmethyl)-2-phenylcyclopropyl]amino]ethanone with MolForge

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Related Compounds

1-(4-methylpiperazin-1-yl)-2-[[(1S,2S)-1-(naphthalen-2-ylmethyl)-2-phenylcyclopropyl]amino]ethanone
CID 90204198
2-[(1,2-diphenylcyclopropyl)amino]-1-(4-methylpiperazin-1-yl)ethanone;dihydrochloride
CID 118483694
2-[(1-ethyl-2-phenylcyclopropyl)amino]-1-piperidin-1-ylethanone;hydrochloride
CID 90204692
2-[(6-methoxynaphthalen-2-yl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 56799660
N-[4-[2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-2-phenylacetamide;hydrochloride
CID 90198032
N-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]benzamide;hydrochloride
CID 90198019
3-[(1R,2R)-1-methyl-2-phenylcyclopropyl]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 146920807
1-(4-acetylpiperazin-1-yl)-2-naphthalen-2-ylethanone
CID 51161828
N-[4-[2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]naphthalene-2-carboxamide
CID 90205307
ethyl (1S)-1-(naphthalen-2-ylmethyl)-2-phenylcyclopropane-1-carboxylate
CID 166441673
1-(4-methylpiperazin-1-yl)-2-[[(1S)-2-[4-(2-phenylethyl)phenyl]cyclopropyl]amino]ethanone;dihydrochloride
CID 71811172
(E)-5-amino-N,3,5-trimethyl-N-[(2R)-1-[methyl-[(2R)-1-(4-methylpiperazine-1-carbonyl)-2-phenylcyclopropyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]hex-2-enamide
CID 145490634

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-[[1-(naphthalen-2-ylmethyl)-2-phenylcyclopropyl]amino]ethanone?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-[[1-(naphthalen-2-ylmethyl)-2-phenylcyclopropyl]amino]ethanone (CID 90204196) is 1-(4-methylpiperazin-1-yl)-2-[[1-(naphthalen-2-ylmethyl)-2-phenylcyclopropyl]amino]ethanone.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-[[1-(naphthalen-2-ylmethyl)-2-phenylcyclopropyl]amino]ethanone?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-[[1-(naphthalen-2-ylmethyl)-2-phenylcyclopropyl]amino]ethanone is CN1CCN(C(=O)CNC2(Cc3ccc4ccccc4c3)CC2c2ccccc2)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-[[1-(naphthalen-2-ylmethyl)-2-phenylcyclopropyl]amino]ethanone?
The InChIKey is CTUJHLKIGBSNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O/c1-29-13-15-30(16-14-29)26(31)20-28-27(19-25(27)23-8-3-2-4-9-23)18-21-11-12-22-7-5-6-10-24(22)17-21/h2-12,17,25,28H,13-16,18-20H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-2-[[1-(naphthalen-2-ylmethyl)-2-phenylcyclopropyl]amino]ethanone?
1-(4-methylpiperazin-1-yl)-2-[[1-(naphthalen-2-ylmethyl)-2-phenylcyclopropyl]amino]ethanone has a molecular weight of 413.57 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-2-[[1-(naphthalen-2-ylmethyl)-2-phenylcyclopropyl]amino]ethanone is sourced from PubChem (CID 90204196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).