N-cyclopentyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide

C14H27N3O — CID 54952745

IUPACN-cyclopentyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide
SMILESCC(CN1CCCC1)NCC(=O)NC1CCCC1
InChIInChI=1S/C14H27N3O/c1-12(11-17-8-4-5-9-17)15-10-14(18)16-13-6-2-3-7-13/h12-13,15H,2-11H2,1H3,(H,16,18)
InChIKeyFLLCHHYMFCFZJD-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.12
Rot. Bonds6

About N-cyclopentyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide

N-cyclopentyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide (PubChem CID 54952745) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-cyclopentyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide
PubChem CID54952745
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-cyclopentyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide
SMILESCC(CN1CCCC1)NCC(=O)NC1CCCC1
InChIInChI=1S/C14H27N3O/c1-12(11-17-8-4-5-9-17)15-10-14(18)16-13-6-2-3-7-13/h12-13,15H,2-11H2,1H3,(H,16,18)
InChIKeyFLLCHHYMFCFZJD-UHFFFAOYSA-N
XLogP1.12
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide?
The IUPAC name of N-cyclopentyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide (CID 54952745) is N-cyclopentyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide?
The canonical SMILES for N-cyclopentyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide is CC(CN1CCCC1)NCC(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide?
The InChIKey is FLLCHHYMFCFZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-12(11-17-8-4-5-9-17)15-10-14(18)16-13-6-2-3-7-13/h12-13,15H,2-11H2,1H3,(H,16,18).
What are the key properties of N-cyclopentyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide?
N-cyclopentyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide has a molecular weight of 253.39 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide is sourced from PubChem (CID 54952745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).