1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]urea

C21H28N4O2 — CID 126448565

IUPAC1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]urea
SMILESCc1ccccc1[C@H](NC(=O)NCC1(O)CCN(C)CC1)c1ccncc1
InChIInChI=1S/C21H28N4O2/c1-16-5-3-4-6-18(16)19(17-7-11-22-12-8-17)24-20(26)23-15-21(27)9-13-25(2)14-10-21/h3-8,11-12,19,27H,9-10,13-15H2,1-2H3,(H2,23,24,26)/t19-/m1/s1
InChIKeySERZNGZEBOBVGX-LJQANCHMSA-N
MW368.48 g/mol
LogP2.24
Rot. Bonds5

About 1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]urea

1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]urea (PubChem CID 126448565) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]urea.

Molecular Properties

Compound Name1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]urea
PubChem CID126448565
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]urea
SMILESCc1ccccc1[C@H](NC(=O)NCC1(O)CCN(C)CC1)c1ccncc1
InChIInChI=1S/C21H28N4O2/c1-16-5-3-4-6-18(16)19(17-7-11-22-12-8-17)24-20(26)23-15-21(27)9-13-25(2)14-10-21/h3-8,11-12,19,27H,9-10,13-15H2,1-2H3,(H2,23,24,26)/t19-/m1/s1
InChIKeySERZNGZEBOBVGX-LJQANCHMSA-N
XLogP2.24
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]urea with MolForge

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Related Compounds

N-[(2-methylphenyl)-pyridin-4-ylmethyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 118789936
1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-[(1S)-1-(4-propan-2-ylphenyl)ethyl]urea
CID 124506381
2-[carbamoyl(methyl)amino]-N-[(S)-(2-methylphenyl)-pyridin-4-ylmethyl]acetamide
CID 126423419
N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-3-(2-oxoazepan-1-yl)propanamide
CID 125165780
N-[(S)-(2-methylphenyl)-phenylmethyl]-2-pyridin-4-ylacetamide
CID 95228803
1-methyl-3-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-1-(3-morpholin-4-ylpropyl)urea
CID 126436882
1-[(S)-(2-methylphenyl)-phenylmethyl]-3-propylurea
CID 100748642
1-[(1-hydroxycyclobutyl)methyl]-3-[(4-methylphenyl)-phenylmethyl]urea
CID 111437945
4-(2,4-dioxoimidazolidin-1-yl)-N-[(S)-(2-methylphenyl)-pyridin-4-ylmethyl]benzamide
CID 97187022
3-methoxy-2,2-dimethyl-N-[(2-methylphenyl)-pyridin-4-ylmethyl]propanamide
CID 118784920
2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2-methylphenyl)-pyridin-4-ylmethyl]acetamide
CID 77095713
4-(hydroxymethyl)-N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]pyridine-2-carboxamide
CID 99947108

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]urea?
The IUPAC name of 1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]urea (CID 126448565) is 1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]urea.
What is the SMILES notation for 1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]urea?
The canonical SMILES for 1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]urea is Cc1ccccc1[C@H](NC(=O)NCC1(O)CCN(C)CC1)c1ccncc1.
What is the InChIKey of 1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]urea?
The InChIKey is SERZNGZEBOBVGX-LJQANCHMSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-16-5-3-4-6-18(16)19(17-7-11-22-12-8-17)24-20(26)23-15-21(27)9-13-25(2)14-10-21/h3-8,11-12,19,27H,9-10,13-15H2,1-2H3,(H2,23,24,26)/t19-/m1/s1.
What are the key properties of 1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]urea?
1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]urea has a molecular weight of 368.48 g/mol, XLogP of 2.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]urea is sourced from PubChem (CID 126448565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).