1-cyclopropyl-3-ethyl-3-methyl-1-(piperidin-4-ylmethyl)urea

C13H25N3O — CID 79716976

IUPAC1-cyclopropyl-3-ethyl-3-methyl-1-(piperidin-4-ylmethyl)urea
SMILESCCN(C)C(=O)N(CC1CCNCC1)C1CC1
InChIInChI=1S/C13H25N3O/c1-3-15(2)13(17)16(12-4-5-12)10-11-6-8-14-9-7-11/h11-12,14H,3-10H2,1-2H3
InChIKeyRWECNLVMQWAMCD-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.52
Rot. Bonds4

About 1-cyclopropyl-3-ethyl-3-methyl-1-(piperidin-4-ylmethyl)urea

1-cyclopropyl-3-ethyl-3-methyl-1-(piperidin-4-ylmethyl)urea (PubChem CID 79716976) 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-4-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-ethyl-3-methyl-1-(piperidin-4-ylmethyl)urea
PubChem CID79716976
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-cyclopropyl-3-ethyl-3-methyl-1-(piperidin-4-ylmethyl)urea
SMILESCCN(C)C(=O)N(CC1CCNCC1)C1CC1
InChIInChI=1S/C13H25N3O/c1-3-15(2)13(17)16(12-4-5-12)10-11-6-8-14-9-7-11/h11-12,14H,3-10H2,1-2H3
InChIKeyRWECNLVMQWAMCD-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropyl(piperidin-4-ylmethyl)amino]-N-ethyl-N-methylacetamide
CID 79714454
N-cyclopropyl-N-(piperidin-4-ylmethyl)propanamide;hydrochloride
CID 126511804
1-cyclopropyl-3-ethyl-3-methyl-1-(piperidin-2-ylmethyl)urea
CID 106629707
N-cyclopropyl-N-(piperidin-4-ylmethyl)hexanamide
CID 79720359
1-cyclopropyl-3-ethyl-3-methyl-1-prop-2-enylurea
CID 116657097
N-methyl-N-(piperidin-4-ylmethyl)acetamide;hydrochloride
CID 118998343
1-cyclopropyl-3-ethyl-1,3-dimethylurea
CID 116654142
N-methyl-N-(piperidin-4-ylmethyl)but-2-enamide
CID 79720456
1-cyclopropyl-3,3-diethyl-1-(piperidin-3-ylmethyl)urea
CID 106629978
N-cyclopropyl-N-methyl-2-[methyl(piperidin-4-ylmethyl)amino]acetamide
CID 79716361
N-cyclopropyl-N-ethylpiperidine-4-carboxamide
CID 43264267
2,2-difluoro-N-methyl-N-(piperidin-4-ylmethyl)acetamide
CID 103514236

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-ethyl-3-methyl-1-(piperidin-4-ylmethyl)urea?
The IUPAC name of 1-cyclopropyl-3-ethyl-3-methyl-1-(piperidin-4-ylmethyl)urea (CID 79716976) is 1-cyclopropyl-3-ethyl-3-methyl-1-(piperidin-4-ylmethyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-ethyl-3-methyl-1-(piperidin-4-ylmethyl)urea?
The canonical SMILES for 1-cyclopropyl-3-ethyl-3-methyl-1-(piperidin-4-ylmethyl)urea is CCN(C)C(=O)N(CC1CCNCC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-ethyl-3-methyl-1-(piperidin-4-ylmethyl)urea?
The InChIKey is RWECNLVMQWAMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-3-15(2)13(17)16(12-4-5-12)10-11-6-8-14-9-7-11/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-ethyl-3-methyl-1-(piperidin-4-ylmethyl)urea?
1-cyclopropyl-3-ethyl-3-methyl-1-(piperidin-4-ylmethyl)urea has a molecular weight of 239.36 g/mol, XLogP of 1.52, 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-4-ylmethyl)urea is sourced from PubChem (CID 79716976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).