1-(3-hydroxy-4-methylpentyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea

C15H31N3O2 — CID 111504648

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

About 1-(3-hydroxy-4-methylpentyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea

1-(3-hydroxy-4-methylpentyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea (PubChem CID 111504648) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-(3-hydroxy-4-methylpentyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3-hydroxy-4-methylpentyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea
PubChem CID111504648
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name1-(3-hydroxy-4-methylpentyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea
SMILESCC1CCN(CCNC(=O)NCCC(O)C(C)C)CC1
InChIInChI=1S/C15H31N3O2/c1-12(2)14(19)4-7-16-15(20)17-8-11-18-9-5-13(3)6-10-18/h12-14,19H,4-11H2,1-3H3,(H2,16,17,20)
InChIKeyWNPLLKWVGUECPL-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

Analyze 1-(3-hydroxy-4-methylpentyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea with MolForge

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Related Compounds

2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide
CID 61241466
1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea
CID 111454418
2,2-difluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]acetamide
CID 103515570
1-(3-hydroxy-4-methylpentyl)-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea
CID 111505217
1-cyclopropyl-1-(3-methylbutyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea
CID 87005504
1-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-3-[2-(4-methylpiperidin-1-yl)ethyl]urea
CID 94194365
2-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide
CID 61266440
3-amino-2-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]butanamide
CID 120503040
2-(4-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 108993688
2-amino-4-methoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]butanamide
CID 62476274
(2S)-N-[2-(4-methylpiperidin-1-yl)ethyl]oxolane-2-carboxamide
CID 94119495
(2R)-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidine-2-carboxamide
CID 103813586

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-4-methylpentyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea?
The IUPAC name of 1-(3-hydroxy-4-methylpentyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea (CID 111504648) is 1-(3-hydroxy-4-methylpentyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea.
What is the SMILES notation for 1-(3-hydroxy-4-methylpentyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea?
The canonical SMILES for 1-(3-hydroxy-4-methylpentyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea is CC1CCN(CCNC(=O)NCCC(O)C(C)C)CC1.
What is the InChIKey of 1-(3-hydroxy-4-methylpentyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea?
The InChIKey is WNPLLKWVGUECPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-12(2)14(19)4-7-16-15(20)17-8-11-18-9-5-13(3)6-10-18/h12-14,19H,4-11H2,1-3H3,(H2,16,17,20).
What are the key properties of 1-(3-hydroxy-4-methylpentyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea?
1-(3-hydroxy-4-methylpentyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]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-(3-hydroxy-4-methylpentyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea is sourced from PubChem (CID 111504648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).