(2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide

C19H27N3O3 — CID 31933904

IUPAC(2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide
SMILESCOc1cccc(CNC(=O)[C@H](C)N2CCN(C(=O)C3CC3)CC2)c1
InChIInChI=1S/C19H27N3O3/c1-14(18(23)20-13-15-4-3-5-17(12-15)25-2)21-8-10-22(11-9-21)19(24)16-6-7-16/h3-5,12,14,16H,6-11,13H2,1-2H3,(H,20,23)/t14-/m0/s1
InChIKeyZUNBPQRAAQBMES-AWEZNQCLSA-N
MW345.44 g/mol
LogP1.25
Rot. Bonds6

About (2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide

(2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide (PubChem CID 31933904) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is (2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide
PubChem CID31933904
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name(2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide
SMILESCOc1cccc(CNC(=O)[C@H](C)N2CCN(C(=O)C3CC3)CC2)c1
InChIInChI=1S/C19H27N3O3/c1-14(18(23)20-13-15-4-3-5-17(12-15)25-2)21-8-10-22(11-9-21)19(24)16-6-7-16/h3-5,12,14,16H,6-11,13H2,1-2H3,(H,20,23)/t14-/m0/s1
InChIKeyZUNBPQRAAQBMES-AWEZNQCLSA-N
XLogP1.25
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide with MolForge

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Related Compounds

N-[(3-methoxyphenyl)methyl]-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide
CID 55565579
2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 134019664
N-[(3-methoxyphenyl)methyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 55525118
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 55526128
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 46561331
N-[1-[1-[(3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 49448704
N-[(3-methoxyphenyl)methyl]-1-(2-methylpropyl)piperidine-4-carboxamide
CID 47067999
cyclopropyl-[4-[3-(3-methoxyphenyl)propyl]piperazin-1-yl]methanone
CID 110358229
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 122278869
2-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 42997740
(2R)-2-(azocan-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 2539196
(2S)-2-acetamido-N-[(3-methoxyphenyl)methyl]propanamide
CID 34819984

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide?
The IUPAC name of (2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide (CID 31933904) is (2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide?
The canonical SMILES for (2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide is COc1cccc(CNC(=O)[C@H](C)N2CCN(C(=O)C3CC3)CC2)c1.
What is the InChIKey of (2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide?
The InChIKey is ZUNBPQRAAQBMES-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-14(18(23)20-13-15-4-3-5-17(12-15)25-2)21-8-10-22(11-9-21)19(24)16-6-7-16/h3-5,12,14,16H,6-11,13H2,1-2H3,(H,20,23)/t14-/m0/s1.
What are the key properties of (2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide?
(2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide has a molecular weight of 345.44 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 31933904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).