1-(4-hydroxy-2-methylbutyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea

C15H31N3O2 — CID 111505364

IUPAC1-(4-hydroxy-2-methylbutyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea
SMILESCC1CCN(C(C)CNC(=O)NCC(C)CCO)CC1
InChIInChI=1S/C15H31N3O2/c1-12-4-7-18(8-5-12)14(3)11-17-15(20)16-10-13(2)6-9-19/h12-14,19H,4-11H2,1-3H3,(H2,16,17,20)
InChIKeyHQQYJPWZKFPWPQ-UHFFFAOYSA-N
MW285.43 g/mol
LogP1.42
Rot. Bonds7

About 1-(4-hydroxy-2-methylbutyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea

1-(4-hydroxy-2-methylbutyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea (PubChem CID 111505364) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-(4-hydroxy-2-methylbutyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-(4-hydroxy-2-methylbutyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea
PubChem CID111505364
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name1-(4-hydroxy-2-methylbutyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea
SMILESCC1CCN(C(C)CNC(=O)NCC(C)CCO)CC1
InChIInChI=1S/C15H31N3O2/c1-12-4-7-18(8-5-12)14(3)11-17-15(20)16-10-13(2)6-9-19/h12-14,19H,4-11H2,1-3H3,(H2,16,17,20)
InChIKeyHQQYJPWZKFPWPQ-UHFFFAOYSA-N
XLogP1.42
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]-1-(oxan-4-ylmethyl)urea
CID 84593073
N-butan-2-yl-3-(2-hydroxyethyl)piperidine-1-carboxamide
CID 56794735
N-ethyl-4-(methoxymethyl)piperidine-1-carboxamide
CID 71782916
1-(2-Hydroxyethyl)-3-[[1-(3-methylbutyl)piperidin-4-yl]methyl]urea
CID 71860781
1-[3-(Hydroxymethyl)pentan-3-yl]-3-[2-(2-methylpiperidin-1-yl)ethyl]urea
CID 72131926
1-[(2S)-1-hydroxypropan-2-yl]-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea
CID 91650241
N-[2-(dimethylamino)-2-methylpropyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide
CID 75383468
4-(hydroxymethyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide
CID 75522549
N-[2-(dimethylamino)-2-methylpropyl]-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide
CID 97233632
N-[2-(dimethylamino)-2-methylpropyl]-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide
CID 97233633
4-(hydroxymethyl)-N-[(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]piperidine-1-carboxamide
CID 97830985
4-(hydroxymethyl)-N-[(2R)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]piperidine-1-carboxamide
CID 97830986

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2-methylbutyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea?
The IUPAC name of 1-(4-hydroxy-2-methylbutyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea (CID 111505364) is 1-(4-hydroxy-2-methylbutyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea.
What is the SMILES notation for 1-(4-hydroxy-2-methylbutyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea?
The canonical SMILES for 1-(4-hydroxy-2-methylbutyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea is CC1CCN(C(C)CNC(=O)NCC(C)CCO)CC1.
What is the InChIKey of 1-(4-hydroxy-2-methylbutyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea?
The InChIKey is HQQYJPWZKFPWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-12-4-7-18(8-5-12)14(3)11-17-15(20)16-10-13(2)6-9-19/h12-14,19H,4-11H2,1-3H3,(H2,16,17,20).
What are the key properties of 1-(4-hydroxy-2-methylbutyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea?
1-(4-hydroxy-2-methylbutyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea has a molecular weight of 285.43 g/mol, XLogP of 1.42, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2-methylbutyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea is sourced from PubChem (CID 111505364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).