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

C12H23N3O — CID 47038655

IUPAC1-cyclopropyl-3-[2-(4-methylpiperidin-1-yl)ethyl]urea
SMILESCC1CCN(CCNC(=O)NC2CC2)CC1
InChIInChI=1S/C12H23N3O/c1-10-4-7-15(8-5-10)9-6-13-12(16)14-11-2-3-11/h10-11H,2-9H2,1H3,(H2,13,14,16)
InChIKeyDSJLTVBWWNRGTO-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.18
Rot. Bonds4

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

1-cyclopropyl-3-[2-(4-methylpiperidin-1-yl)ethyl]urea (PubChem CID 47038655) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-(4-methylpiperidin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-(4-methylpiperidin-1-yl)ethyl]urea
PubChem CID47038655
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-cyclopropyl-3-[2-(4-methylpiperidin-1-yl)ethyl]urea
SMILESCC1CCN(CCNC(=O)NC2CC2)CC1
InChIInChI=1S/C12H23N3O/c1-10-4-7-15(8-5-10)9-6-13-12(16)14-11-2-3-11/h10-11H,2-9H2,1H3,(H2,13,14,16)
InChIKeyDSJLTVBWWNRGTO-UHFFFAOYSA-N
XLogP1.18
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-Piperidinecarboxamide, 3-amino-N,N-dimethyl-
CID 21482877
1-[(Piperidin-4-yl)methyl]imidazolidin-2-one
CID 61649405
3-Methyl-1-((piperidin-4-yl)methyl)urea hydrochloride
CID 134691041
N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(dimethylamino)piperidine-1-carboxamide
CID 72145120
3-(dimethylamino)-N-(3,3-dimethylbutyl)piperidine-1-carboxamide
CID 72145167
3,3-Dimethyl-1-(piperidin-3-yl)urea
CID 67338659
(S)-1-(Piperidin-3-yl)-3-(propan-2-yl)urea hydrochloride
CID 53256927
3,3-Dimethyl-1-((1-methylpiperidin-4-yl)methyl)urea
CID 112688391
N-butyl-4-methylpiperidine-1-carboxamide
CID 6467412
N-cyclohexyl-4-methylpiperidine-1-carboxamide
CID 4207227
Cambridge id 7107424
CID 2926433
N-(tert-butyl)-4-((3-ethylureido)methyl)piperidine-1-carboxamide
CID 49688113

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-(4-methylpiperidin-1-yl)ethyl]urea?
The IUPAC name of 1-cyclopropyl-3-[2-(4-methylpiperidin-1-yl)ethyl]urea (CID 47038655) is 1-cyclopropyl-3-[2-(4-methylpiperidin-1-yl)ethyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[2-(4-methylpiperidin-1-yl)ethyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[2-(4-methylpiperidin-1-yl)ethyl]urea is CC1CCN(CCNC(=O)NC2CC2)CC1.
What is the InChIKey of 1-cyclopropyl-3-[2-(4-methylpiperidin-1-yl)ethyl]urea?
The InChIKey is DSJLTVBWWNRGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-10-4-7-15(8-5-10)9-6-13-12(16)14-11-2-3-11/h10-11H,2-9H2,1H3,(H2,13,14,16).
What are the key properties of 1-cyclopropyl-3-[2-(4-methylpiperidin-1-yl)ethyl]urea?
1-cyclopropyl-3-[2-(4-methylpiperidin-1-yl)ethyl]urea has a molecular weight of 225.34 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-(4-methylpiperidin-1-yl)ethyl]urea is sourced from PubChem (CID 47038655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).