1-(1-methylpiperidin-4-yl)-3-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-1-(2-phenylethyl)urea

C21H34N4O — CID 126444584

IUPAC1-(1-methylpiperidin-4-yl)-3-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-1-(2-phenylethyl)urea
SMILESCN1CCC(N(CCc2ccccc2)C(=O)NC[C@H]2CCN(C)C2)CC1
InChIInChI=1S/C21H34N4O/c1-23-13-10-20(11-14-23)25(15-9-18-6-4-3-5-7-18)21(26)22-16-19-8-12-24(2)17-19/h3-7,19-20H,8-17H2,1-2H3,(H,22,26)/t19-/m1/s1
InChIKeyGLIZPMOZANZXFO-LJQANCHMSA-N
MW358.53 g/mol
LogP2.29
Rot. Bonds6

About 1-(1-methylpiperidin-4-yl)-3-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-1-(2-phenylethyl)urea

1-(1-methylpiperidin-4-yl)-3-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-1-(2-phenylethyl)urea (PubChem CID 126444584) has the molecular formula C21H34N4O and a molecular weight of 358.53 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)-3-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-1-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)-3-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-1-(2-phenylethyl)urea
PubChem CID126444584
Molecular FormulaC21H34N4O
Molecular Weight358.53 g/mol
Exact Mass358.27
IUPAC Name1-(1-methylpiperidin-4-yl)-3-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-1-(2-phenylethyl)urea
SMILESCN1CCC(N(CCc2ccccc2)C(=O)NC[C@H]2CCN(C)C2)CC1
InChIInChI=1S/C21H34N4O/c1-23-13-10-20(11-14-23)25(15-9-18-6-4-3-5-7-18)21(26)22-16-19-8-12-24(2)17-19/h3-7,19-20H,8-17H2,1-2H3,(H,22,26)/t19-/m1/s1
InChIKeyGLIZPMOZANZXFO-LJQANCHMSA-N
XLogP2.29
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)oxamide
CID 16886539
N-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpropan-1-amine
CID 60856584
N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)morpholine-4-carboxamide
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(2R)-2-(dimethylamino)-N-[(1-methylpiperidin-4-yl)methyl]-3-phenylpropanamide
CID 95614948
2-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)acetamide
CID 50875448
2-(3-hydroxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide
CID 61400257
4-(1-hydroxy-3-phenylpropyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide
CID 121499174
1-(1-benzylpiperidin-4-yl)-3-(cyclohexylmethyl)-1-propylurea
CID 141100611
2-(dimethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 110476079
N-(1-methylpiperidin-4-yl)-2,4-dioxo-N-(2-phenylethyl)-1H-pyrimidine-5-carboxamide
CID 70720010
2-benzyl-1-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 130158112
1-(1-methylpiperidin-4-yl)-1-phenyl-3-(3-phenylpropyl)urea
CID 68749941

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)-3-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-1-(2-phenylethyl)urea?
The IUPAC name of 1-(1-methylpiperidin-4-yl)-3-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-1-(2-phenylethyl)urea (CID 126444584) is 1-(1-methylpiperidin-4-yl)-3-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-1-(2-phenylethyl)urea.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)-3-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-1-(2-phenylethyl)urea?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)-3-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-1-(2-phenylethyl)urea is CN1CCC(N(CCc2ccccc2)C(=O)NC[C@H]2CCN(C)C2)CC1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)-3-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-1-(2-phenylethyl)urea?
The InChIKey is GLIZPMOZANZXFO-LJQANCHMSA-N. The full InChI is InChI=1S/C21H34N4O/c1-23-13-10-20(11-14-23)25(15-9-18-6-4-3-5-7-18)21(26)22-16-19-8-12-24(2)17-19/h3-7,19-20H,8-17H2,1-2H3,(H,22,26)/t19-/m1/s1.
What are the key properties of 1-(1-methylpiperidin-4-yl)-3-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-1-(2-phenylethyl)urea?
1-(1-methylpiperidin-4-yl)-3-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-1-(2-phenylethyl)urea has a molecular weight of 358.53 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)-3-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-1-(2-phenylethyl)urea is sourced from PubChem (CID 126444584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).