1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea

C15H29N3O2 — CID 111618471

IUPAC1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea
SMILESCC(C)CN1CCC(NC(=O)NCC2(CO)CC2)CC1
InChIInChI=1S/C15H29N3O2/c1-12(2)9-18-7-3-13(4-8-18)17-14(20)16-10-15(11-19)5-6-15/h12-13,19H,3-11H2,1-2H3,(H2,16,17,20)
InChIKeyNRJFBKJJBITJGL-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.18
Rot. Bonds6

About 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea

1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea (PubChem CID 111618471) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea
PubChem CID111618471
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea
SMILESCC(C)CN1CCC(NC(=O)NCC2(CO)CC2)CC1
InChIInChI=1S/C15H29N3O2/c1-12(2)9-18-7-3-13(4-8-18)17-14(20)16-10-15(11-19)5-6-15/h12-13,19H,3-11H2,1-2H3,(H2,16,17,20)
InChIKeyNRJFBKJJBITJGL-UHFFFAOYSA-N
XLogP1.18
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 111722272
1-(2-hydroxyethyl)-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 110894137
1-[(2,4-dichlorophenyl)methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 51117380
N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 71193586
1-amino-N-[1-(2-methylpropyl)piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119841090
2-amino-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 83623800
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-methylpropyl)urea
CID 111573291
1-[(4-bromo-3-fluorophenyl)methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 51128647
1-[1-(2-methylpropyl)piperidin-4-yl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
CID 51122734
2-(methylamino)-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide;dihydrochloride
CID 119841092
2-methyl-3-(methylamino)-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 119841116
1-(1-cyclohexylethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111619002

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea?
The IUPAC name of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea (CID 111618471) is 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea?
The canonical SMILES for 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea is CC(C)CN1CCC(NC(=O)NCC2(CO)CC2)CC1.
What is the InChIKey of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea?
The InChIKey is NRJFBKJJBITJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-12(2)9-18-7-3-13(4-8-18)17-14(20)16-10-15(11-19)5-6-15/h12-13,19H,3-11H2,1-2H3,(H2,16,17,20).
What are the key properties of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea?
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea has a molecular weight of 283.42 g/mol, XLogP of 1.18, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea is sourced from PubChem (CID 111618471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).