1-[(1S)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]-3-[(2S)-4-methyl-2-morpholin-4-ylpentyl]urea

C26H45N5O2 — CID 95593569

IUPAC1-[(1S)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]-3-[(2S)-4-methyl-2-morpholin-4-ylpentyl]urea
SMILESCC(C)C[C@@H](CNC(=O)N[C@H](CN(C)C1CCN(C)CC1)c1ccccc1)N1CCOCC1
InChIInChI=1S/C26H45N5O2/c1-21(2)18-24(31-14-16-33-17-15-31)19-27-26(32)28-25(22-8-6-5-7-9-22)20-30(4)23-10-12-29(3)13-11-23/h5-9,21,23-25H,10-20H2,1-4H3,(H2,27,28,32)/t24-,25+/m0/s1
InChIKeyLQQLSICXMIIJOV-LOSJGSFVSA-N
MW459.68 g/mol
LogP2.80
Rot. Bonds10

About 1-[(1S)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]-3-[(2S)-4-methyl-2-morpholin-4-ylpentyl]urea

1-[(1S)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]-3-[(2S)-4-methyl-2-morpholin-4-ylpentyl]urea (PubChem CID 95593569) has the molecular formula C26H45N5O2 and a molecular weight of 459.68 g/mol. Its IUPAC name is 1-[(1S)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]-3-[(2S)-4-methyl-2-morpholin-4-ylpentyl]urea.

Molecular Properties

Compound Name1-[(1S)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]-3-[(2S)-4-methyl-2-morpholin-4-ylpentyl]urea
PubChem CID95593569
Molecular FormulaC26H45N5O2
Molecular Weight459.68 g/mol
Exact Mass459.36
IUPAC Name1-[(1S)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]-3-[(2S)-4-methyl-2-morpholin-4-ylpentyl]urea
SMILESCC(C)C[C@@H](CNC(=O)N[C@H](CN(C)C1CCN(C)CC1)c1ccccc1)N1CCOCC1
InChIInChI=1S/C26H45N5O2/c1-21(2)18-24(31-14-16-33-17-15-31)19-27-26(32)28-25(22-8-6-5-7-9-22)20-30(4)23-10-12-29(3)13-11-23/h5-9,21,23-25H,10-20H2,1-4H3,(H2,27,28,32)/t24-,25+/m0/s1
InChIKeyLQQLSICXMIIJOV-LOSJGSFVSA-N
XLogP2.80
TPSA60.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.68
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(1S)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]-3-[(2S)-4-methyl-2-morpholin-4-ylpentyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-[(1S)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]-2-methylsulfanylpropanamide
CID 95274469
1-(2-hydroxy-1-phenylethyl)-3-(2-morpholin-4-ylpropyl)urea
CID 87003592
1-[(3S)-1,1-dioxothiolan-3-yl]-3-[(1S)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]urea
CID 124739786
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methyl-2-morpholin-4-ylpentyl)urea
CID 55520723
1-cyclopropyl-1-[(2-methoxyphenyl)methyl]-3-(4-methyl-2-morpholin-4-ylpentyl)urea
CID 87038436
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-[2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]urea
CID 47087770
1-[(2S)-2-morpholin-4-yl-2-phenylethyl]-3-[(1R)-1-phenylethyl]urea
CID 51934988
1-[(2S)-4-methyl-2-morpholin-4-ylpentyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 94030429
N-(4-methyl-2-morpholin-4-ylpentyl)morpholine-4-carboxamide
CID 110403300
N-(4-methyl-2-morpholin-4-ylpentyl)-2-naphthalen-2-ylacetamide
CID 46540850
3-hydroxy-N-(4-methyl-2-morpholin-4-ylpentyl)naphthalene-2-carboxamide
CID 46540851
N-[(1R)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 52539552

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]-3-[(2S)-4-methyl-2-morpholin-4-ylpentyl]urea?
The IUPAC name of 1-[(1S)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]-3-[(2S)-4-methyl-2-morpholin-4-ylpentyl]urea (CID 95593569) is 1-[(1S)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]-3-[(2S)-4-methyl-2-morpholin-4-ylpentyl]urea.
What is the SMILES notation for 1-[(1S)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]-3-[(2S)-4-methyl-2-morpholin-4-ylpentyl]urea?
The canonical SMILES for 1-[(1S)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]-3-[(2S)-4-methyl-2-morpholin-4-ylpentyl]urea is CC(C)C[C@@H](CNC(=O)N[C@H](CN(C)C1CCN(C)CC1)c1ccccc1)N1CCOCC1.
What is the InChIKey of 1-[(1S)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]-3-[(2S)-4-methyl-2-morpholin-4-ylpentyl]urea?
The InChIKey is LQQLSICXMIIJOV-LOSJGSFVSA-N. The full InChI is InChI=1S/C26H45N5O2/c1-21(2)18-24(31-14-16-33-17-15-31)19-27-26(32)28-25(22-8-6-5-7-9-22)20-30(4)23-10-12-29(3)13-11-23/h5-9,21,23-25H,10-20H2,1-4H3,(H2,27,28,32)/t24-,25+/m0/s1.
What are the key properties of 1-[(1S)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]-3-[(2S)-4-methyl-2-morpholin-4-ylpentyl]urea?
1-[(1S)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]-3-[(2S)-4-methyl-2-morpholin-4-ylpentyl]urea has a molecular weight of 459.68 g/mol, XLogP of 2.80, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]-3-[(2S)-4-methyl-2-morpholin-4-ylpentyl]urea is sourced from PubChem (CID 95593569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).