3-cyclopentyl-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea

C14H27N3O — CID 106613201

IUPAC3-cyclopentyl-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea
SMILESCC(C)N(CC1CCCN1)C(=O)NC1CCCC1
InChIInChI=1S/C14H27N3O/c1-11(2)17(10-13-8-5-9-15-13)14(18)16-12-6-3-4-7-12/h11-13,15H,3-10H2,1-2H3,(H,16,18)
InChIKeyZJGNOIHMXDQBOS-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.10
Rot. Bonds4

About 3-cyclopentyl-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea

3-cyclopentyl-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea (PubChem CID 106613201) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-cyclopentyl-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea.

Molecular Properties

Compound Name3-cyclopentyl-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea
PubChem CID106613201
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name3-cyclopentyl-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea
SMILESCC(C)N(CC1CCCN1)C(=O)NC1CCCC1
InChIInChI=1S/C14H27N3O/c1-11(2)17(10-13-8-5-9-15-13)14(18)16-12-6-3-4-7-12/h11-13,15H,3-10H2,1-2H3,(H,16,18)
InChIKeyZJGNOIHMXDQBOS-UHFFFAOYSA-N
XLogP2.10
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(piperidin-2-ylmethyl)-1-propan-2-ylurea
CID 106629717
3-cyclohexyl-1-(piperidin-4-ylmethyl)-1-propan-2-ylurea
CID 79720446
3-cyclohexyl-1-(piperidin-3-ylmethyl)-1-propan-2-ylurea
CID 106629886
N-cyclohexyl-2-[piperidin-2-ylmethyl(propan-2-yl)amino]acetamide
CID 106631855
N-cyclopentyl-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]propanamide
CID 106617913
3-phenyl-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea
CID 106613236
N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-ynamide
CID 107990956
2-methylsulfonyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106610197
4-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpentanamide
CID 106626702
2-cyclopropyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626607
N-(piperidin-2-ylmethyl)-N-propan-2-ylprop-2-enamide
CID 106626540
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pent-4-enamide
CID 106609880

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea?
The IUPAC name of 3-cyclopentyl-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea (CID 106613201) is 3-cyclopentyl-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea.
What is the SMILES notation for 3-cyclopentyl-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea?
The canonical SMILES for 3-cyclopentyl-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea is CC(C)N(CC1CCCN1)C(=O)NC1CCCC1.
What is the InChIKey of 3-cyclopentyl-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea?
The InChIKey is ZJGNOIHMXDQBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-11(2)17(10-13-8-5-9-15-13)14(18)16-12-6-3-4-7-12/h11-13,15H,3-10H2,1-2H3,(H,16,18).
What are the key properties of 3-cyclopentyl-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea?
3-cyclopentyl-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea has a molecular weight of 253.39 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea is sourced from PubChem (CID 106613201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).