1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea

C14H27N3O2 — CID 111618803

IUPAC1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
SMILESCN1CCC(CCNC(=O)NCC2(CO)CC2)CC1
InChIInChI=1S/C14H27N3O2/c1-17-8-3-12(4-9-17)2-7-15-13(19)16-10-14(11-18)5-6-14/h12,18H,2-11H2,1H3,(H2,15,16,19)
InChIKeyPXAHKQUVZSXKPY-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.79
Rot. Bonds6

About 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea

1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea (PubChem CID 111618803) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
PubChem CID111618803
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
SMILESCN1CCC(CCNC(=O)NCC2(CO)CC2)CC1
InChIInChI=1S/C14H27N3O2/c1-17-8-3-12(4-9-17)2-7-15-13(19)16-10-14(11-18)5-6-14/h12,18H,2-11H2,1H3,(H2,15,16,19)
InChIKeyPXAHKQUVZSXKPY-UHFFFAOYSA-N
XLogP0.79
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea with MolForge

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Related Compounds

1-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119865912
1-[2-[2-(1-methylpiperidin-4-yl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 114515072
ethane;N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
CID 145305078
2-[1-[[(1-methylpiperidin-4-yl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid
CID 81155945
2-[2-(1-methylpiperidin-4-yl)ethylamino]propanoic acid
CID 114515260
1-cyclohexyl-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 115611118
1-(2-hydroxy-1-phenylethyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 110933484
1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 111508183
3-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
CID 114515725
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(propan-2-ylamino)propanamide
CID 113267480
3-methyl-1-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 114516429
cis-(1R,3S)-3-[2-(1-methylpiperidin-4-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106320196

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea?
The IUPAC name of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea (CID 111618803) is 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea.
What is the SMILES notation for 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea?
The canonical SMILES for 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea is CN1CCC(CCNC(=O)NCC2(CO)CC2)CC1.
What is the InChIKey of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea?
The InChIKey is PXAHKQUVZSXKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-17-8-3-12(4-9-17)2-7-15-13(19)16-10-14(11-18)5-6-14/h12,18H,2-11H2,1H3,(H2,15,16,19).
What are the key properties of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea?
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea has a molecular weight of 269.39 g/mol, XLogP of 0.79, 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-[2-(1-methylpiperidin-4-yl)ethyl]urea is sourced from PubChem (CID 111618803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).