1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-[(1S)-1-(4-propan-2-ylphenyl)ethyl]urea

C19H31N3O2 — CID 124506381

IUPAC1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-[(1S)-1-(4-propan-2-ylphenyl)ethyl]urea
SMILESCC(C)c1ccc([C@H](C)NC(=O)NCC2(O)CCN(C)CC2)cc1
InChIInChI=1S/C19H31N3O2/c1-14(2)16-5-7-17(8-6-16)15(3)21-18(23)20-13-19(24)9-11-22(4)12-10-19/h5-8,14-15,24H,9-13H2,1-4H3,(H2,20,21,23)/t15-/m0/s1
InChIKeyIJSCUCPSKVBYMT-HNNXBMFYSA-N
MW333.48 g/mol
LogP2.63
Rot. Bonds5

About 1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-[(1S)-1-(4-propan-2-ylphenyl)ethyl]urea

1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-[(1S)-1-(4-propan-2-ylphenyl)ethyl]urea (PubChem CID 124506381) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-[(1S)-1-(4-propan-2-ylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-[(1S)-1-(4-propan-2-ylphenyl)ethyl]urea
PubChem CID124506381
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-[(1S)-1-(4-propan-2-ylphenyl)ethyl]urea
SMILESCC(C)c1ccc([C@H](C)NC(=O)NCC2(O)CCN(C)CC2)cc1
InChIInChI=1S/C19H31N3O2/c1-14(2)16-5-7-17(8-6-16)15(3)21-18(23)20-13-19(24)9-11-22(4)12-10-19/h5-8,14-15,24H,9-13H2,1-4H3,(H2,20,21,23)/t15-/m0/s1
InChIKeyIJSCUCPSKVBYMT-HNNXBMFYSA-N
XLogP2.63
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-[(1S)-1-(4-propan-2-ylphenyl)ethyl]urea with MolForge

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Related Compounds

1-[(1-hydroxycyclohexyl)methyl]-3-(1-phenylethyl)urea
CID 110936427
1-[1-(4-tert-butylphenyl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936623
1-[1-(3-chlorophenyl)ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111437923
(4-hydroxy-1-methylpiperidin-4-yl)methylurea
CID 67593720
1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]urea
CID 126448565
1-[1-(3-chlorophenyl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936464
1-methyl-3-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol
CID 65146674
1-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 111481801
1-[4-(4-methylpiperazin-1-yl)butyl]-3-[(1R)-1-phenylethyl]urea
CID 94813321
3-chloro-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]thiophene-2-carboxamide
CID 129486594
1-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylurea
CID 94700038
N-[(4-hydroxyoxan-4-yl)methyl]-3-(4-propan-2-ylphenyl)butanamide
CID 111486235

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-[(1S)-1-(4-propan-2-ylphenyl)ethyl]urea?
The IUPAC name of 1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-[(1S)-1-(4-propan-2-ylphenyl)ethyl]urea (CID 124506381) is 1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-[(1S)-1-(4-propan-2-ylphenyl)ethyl]urea.
What is the SMILES notation for 1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-[(1S)-1-(4-propan-2-ylphenyl)ethyl]urea?
The canonical SMILES for 1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-[(1S)-1-(4-propan-2-ylphenyl)ethyl]urea is CC(C)c1ccc([C@H](C)NC(=O)NCC2(O)CCN(C)CC2)cc1.
What is the InChIKey of 1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-[(1S)-1-(4-propan-2-ylphenyl)ethyl]urea?
The InChIKey is IJSCUCPSKVBYMT-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-14(2)16-5-7-17(8-6-16)15(3)21-18(23)20-13-19(24)9-11-22(4)12-10-19/h5-8,14-15,24H,9-13H2,1-4H3,(H2,20,21,23)/t15-/m0/s1.
What are the key properties of 1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-[(1S)-1-(4-propan-2-ylphenyl)ethyl]urea?
1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-[(1S)-1-(4-propan-2-ylphenyl)ethyl]urea has a molecular weight of 333.48 g/mol, XLogP of 2.63, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-[(1S)-1-(4-propan-2-ylphenyl)ethyl]urea is sourced from PubChem (CID 124506381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).