1-cyclopropyl-3,3-diethyl-1-(piperidin-3-ylmethyl)urea

C14H27N3O — CID 106629978

IUPAC1-cyclopropyl-3,3-diethyl-1-(piperidin-3-ylmethyl)urea
SMILESCCN(CC)C(=O)N(CC1CCCNC1)C1CC1
InChIInChI=1S/C14H27N3O/c1-3-16(4-2)14(18)17(13-7-8-13)11-12-6-5-9-15-10-12/h12-13,15H,3-11H2,1-2H3
InChIKeyPSXNHXVKNIMDEI-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.91
Rot. Bonds5

About 1-cyclopropyl-3,3-diethyl-1-(piperidin-3-ylmethyl)urea

1-cyclopropyl-3,3-diethyl-1-(piperidin-3-ylmethyl)urea (PubChem CID 106629978) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-cyclopropyl-3,3-diethyl-1-(piperidin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3,3-diethyl-1-(piperidin-3-ylmethyl)urea
PubChem CID106629978
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name1-cyclopropyl-3,3-diethyl-1-(piperidin-3-ylmethyl)urea
SMILESCCN(CC)C(=O)N(CC1CCCNC1)C1CC1
InChIInChI=1S/C14H27N3O/c1-3-16(4-2)14(18)17(13-7-8-13)11-12-6-5-9-15-10-12/h12-13,15H,3-11H2,1-2H3
InChIKeyPSXNHXVKNIMDEI-UHFFFAOYSA-N
XLogP1.91
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(piperidin-3-ylmethyl)propanamide
CID 106629408
N-cyclopropyl-2-methoxy-N-(piperidin-3-ylmethyl)acetamide
CID 106628700
N-cyclopropyl-2-methylsulfanyl-N-(piperidin-3-ylmethyl)acetamide
CID 106628625
1,3-diethyl-1-(piperidin-3-ylmethyl)urea
CID 106629944
N-cyclopropyl-3-(dimethylamino)-N-(piperidin-3-ylmethyl)propanamide
CID 106628487
N-ethyl-3-methoxy-N-(piperidin-3-ylmethyl)propanamide
CID 106629400
3-cyclohexyl-N-cyclopropyl-N-(piperidin-3-ylmethyl)propanamide
CID 106628725
benzyl N-ethyl-N-(piperidin-3-ylmethyl)carbamate
CID 66569373
2-[cyclopropyl(piperidin-3-ylmethyl)amino]-N,N-dimethylacetamide
CID 106639825
N-ethyl-N-(piperidin-3-ylmethyl)thiolane-3-carboxamide
CID 106629562
N-ethyl-3,4,4-trimethyl-N-(piperidin-3-ylmethyl)pentanamide
CID 106629403
N-cyclopropyl-N-(piperidin-3-ylmethyl)oxolane-2-carboxamide
CID 106628691

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3,3-diethyl-1-(piperidin-3-ylmethyl)urea?
The IUPAC name of 1-cyclopropyl-3,3-diethyl-1-(piperidin-3-ylmethyl)urea (CID 106629978) is 1-cyclopropyl-3,3-diethyl-1-(piperidin-3-ylmethyl)urea.
What is the SMILES notation for 1-cyclopropyl-3,3-diethyl-1-(piperidin-3-ylmethyl)urea?
The canonical SMILES for 1-cyclopropyl-3,3-diethyl-1-(piperidin-3-ylmethyl)urea is CCN(CC)C(=O)N(CC1CCCNC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-3,3-diethyl-1-(piperidin-3-ylmethyl)urea?
The InChIKey is PSXNHXVKNIMDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-3-16(4-2)14(18)17(13-7-8-13)11-12-6-5-9-15-10-12/h12-13,15H,3-11H2,1-2H3.
What are the key properties of 1-cyclopropyl-3,3-diethyl-1-(piperidin-3-ylmethyl)urea?
1-cyclopropyl-3,3-diethyl-1-(piperidin-3-ylmethyl)urea has a molecular weight of 253.39 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3,3-diethyl-1-(piperidin-3-ylmethyl)urea is sourced from PubChem (CID 106629978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).