2-[4-[[3-(morpholin-4-ylmethyl)-4-phenylphenyl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide

C27H38N4O2 — CID 163710009

IUPAC2-[4-[[3-(morpholin-4-ylmethyl)-4-phenylphenyl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCN(Cc2ccc(-c3ccccc3)c(CN3CCOCC3)c2)CC1
InChIInChI=1S/C27H38N4O2/c1-22(2)28-27(32)21-30-12-10-29(11-13-30)19-23-8-9-26(24-6-4-3-5-7-24)25(18-23)20-31-14-16-33-17-15-31/h3-9,18,22H,10-17,19-21H2,1-2H3,(H,28,32)
InChIKeyKIJVFLURZIFSHW-UHFFFAOYSA-N
MW450.63 g/mol
LogP2.83
Rot. Bonds8

About 2-[4-[[3-(morpholin-4-ylmethyl)-4-phenylphenyl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide

2-[4-[[3-(morpholin-4-ylmethyl)-4-phenylphenyl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 163710009) has the molecular formula C27H38N4O2 and a molecular weight of 450.63 g/mol. Its IUPAC name is 2-[4-[[3-(morpholin-4-ylmethyl)-4-phenylphenyl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[[3-(morpholin-4-ylmethyl)-4-phenylphenyl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID163710009
Molecular FormulaC27H38N4O2
Molecular Weight450.63 g/mol
Exact Mass450.30
IUPAC Name2-[4-[[3-(morpholin-4-ylmethyl)-4-phenylphenyl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCN(Cc2ccc(-c3ccccc3)c(CN3CCOCC3)c2)CC1
InChIInChI=1S/C27H38N4O2/c1-22(2)28-27(32)21-30-12-10-29(11-13-30)19-23-8-9-26(24-6-4-3-5-7-24)25(18-23)20-31-14-16-33-17-15-31/h3-9,18,22H,10-17,19-21H2,1-2H3,(H,28,32)
InChIKeyKIJVFLURZIFSHW-UHFFFAOYSA-N
XLogP2.83
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.63
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-2-[3-[2-(morpholin-4-ylmethyl)-4-[[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]methyl]phenyl]phenoxy]pyridine-3-carboxamide
CID 142706361
benzyl (2S)-4-methyl-2-[[2-[16-[2-[[(2S)-4-methyl-1-oxo-1-phenylmethoxypentan-2-yl]amino]-2-oxoethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetyl]amino]pentanoate
CID 99662039
2-[4-[(3-phenylmethoxyphenyl)methyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 78820196
N-[(1R)-1-[4-[2-(morpholin-4-ylmethyl)phenyl]phenyl]ethyl]acetamide
CID 97455580
(2S)-4-methyl-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]-4-phenylbutanoyl]amino]pentanoic acid
CID 118673135
2-[3-(morpholin-4-ylmethyl)phenyl]benzoic acid
CID 39226434
2-(4-benzylpiperazin-1-yl)-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 7809338
(2S)-4-methyl-2-[(2-morpholin-4-ylacetyl)amino]pentanoic acid
CID 90040549
2-[2-(3-methoxyphenyl)-6-[3-(morpholin-4-ylmethyl)phenyl]-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
CID 59511779
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 9266085
2-(4-benzyl-1,4-diazepan-1-yl)-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 18151861
benzyl (2S)-3-(difluoromethoxy)-2-[[(2S)-4-methyl-2-[(2-morpholin-4-ylacetyl)amino]pentanoyl]amino]propanoate
CID 118247954

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(morpholin-4-ylmethyl)-4-phenylphenyl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[[3-(morpholin-4-ylmethyl)-4-phenylphenyl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide (CID 163710009) is 2-[4-[[3-(morpholin-4-ylmethyl)-4-phenylphenyl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[[3-(morpholin-4-ylmethyl)-4-phenylphenyl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[[3-(morpholin-4-ylmethyl)-4-phenylphenyl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CN1CCN(Cc2ccc(-c3ccccc3)c(CN3CCOCC3)c2)CC1.
What is the InChIKey of 2-[4-[[3-(morpholin-4-ylmethyl)-4-phenylphenyl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is KIJVFLURZIFSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N4O2/c1-22(2)28-27(32)21-30-12-10-29(11-13-30)19-23-8-9-26(24-6-4-3-5-7-24)25(18-23)20-31-14-16-33-17-15-31/h3-9,18,22H,10-17,19-21H2,1-2H3,(H,28,32).
What are the key properties of 2-[4-[[3-(morpholin-4-ylmethyl)-4-phenylphenyl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide?
2-[4-[[3-(morpholin-4-ylmethyl)-4-phenylphenyl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 450.63 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(morpholin-4-ylmethyl)-4-phenylphenyl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 163710009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).