1-cyclopropyl-3-ethyl-3-methyl-1-(piperidin-2-ylmethyl)urea

C13H25N3O — CID 106629707

IUPAC1-cyclopropyl-3-ethyl-3-methyl-1-(piperidin-2-ylmethyl)urea
SMILESCCN(C)C(=O)N(CC1CCCCN1)C1CC1
InChIInChI=1S/C13H25N3O/c1-3-15(2)13(17)16(12-7-8-12)10-11-6-4-5-9-14-11/h11-12,14H,3-10H2,1-2H3
InChIKeyWYCNEHSTWSCNJE-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.66
Rot. Bonds4

About 1-cyclopropyl-3-ethyl-3-methyl-1-(piperidin-2-ylmethyl)urea

1-cyclopropyl-3-ethyl-3-methyl-1-(piperidin-2-ylmethyl)urea (PubChem CID 106629707) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-cyclopropyl-3-ethyl-3-methyl-1-(piperidin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-ethyl-3-methyl-1-(piperidin-2-ylmethyl)urea
PubChem CID106629707
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-cyclopropyl-3-ethyl-3-methyl-1-(piperidin-2-ylmethyl)urea
SMILESCCN(C)C(=O)N(CC1CCCCN1)C1CC1
InChIInChI=1S/C13H25N3O/c1-3-15(2)13(17)16(12-7-8-12)10-11-6-4-5-9-14-11/h11-12,14H,3-10H2,1-2H3
InChIKeyWYCNEHSTWSCNJE-UHFFFAOYSA-N
XLogP1.66
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-1,3-dimethyl-3-(piperidin-2-ylmethyl)urea
CID 106629811
N-cyclopropyl-N-(piperidin-2-ylmethyl)acetamide
CID 66569474
1-cyclopropyl-3-ethyl-3-methyl-1-(piperidin-4-ylmethyl)urea
CID 79716976
(Z)-N-cyclopropyl-2-methyl-N-(piperidin-2-ylmethyl)pent-2-enamide
CID 106626717
N-ethyl-N-methyl-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106614264
N-methyl-N-(piperidin-2-ylmethyl)cycloheptanecarboxamide
CID 106627288
tert-butyl N-cyclopropyl-N-[[(2S)-piperidin-2-yl]methyl]carbamate
CID 96555647
N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine
CID 6999827
N-methyl-N-(piperidin-2-ylmethyl)nonanamide
CID 106627202
N-(azepan-2-ylmethyl)-N-ethylethanamine
CID 4715268
N-methyl-N-(piperidin-2-ylmethyl)-2-propoxyacetamide
CID 107940297
N,N-dimethyl-1-piperidin-2-ylmethanamine;dihydrochloride
CID 45075192

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-ethyl-3-methyl-1-(piperidin-2-ylmethyl)urea?
The IUPAC name of 1-cyclopropyl-3-ethyl-3-methyl-1-(piperidin-2-ylmethyl)urea (CID 106629707) is 1-cyclopropyl-3-ethyl-3-methyl-1-(piperidin-2-ylmethyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-ethyl-3-methyl-1-(piperidin-2-ylmethyl)urea?
The canonical SMILES for 1-cyclopropyl-3-ethyl-3-methyl-1-(piperidin-2-ylmethyl)urea is CCN(C)C(=O)N(CC1CCCCN1)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-ethyl-3-methyl-1-(piperidin-2-ylmethyl)urea?
The InChIKey is WYCNEHSTWSCNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-3-15(2)13(17)16(12-7-8-12)10-11-6-4-5-9-14-11/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-ethyl-3-methyl-1-(piperidin-2-ylmethyl)urea?
1-cyclopropyl-3-ethyl-3-methyl-1-(piperidin-2-ylmethyl)urea has a molecular weight of 239.36 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-ethyl-3-methyl-1-(piperidin-2-ylmethyl)urea is sourced from PubChem (CID 106629707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).