2-[3-aminopropyl(cyclopentyl)amino]-1-piperidin-1-ylethanone

C15H29N3O — CID 43319620

IUPAC2-[3-aminopropyl(cyclopentyl)amino]-1-piperidin-1-ylethanone
SMILESNCCCN(CC(=O)N1CCCCC1)C1CCCC1
InChIInChI=1S/C15H29N3O/c16-9-6-12-18(14-7-2-3-8-14)13-15(19)17-10-4-1-5-11-17/h14H,1-13,16H2
InChIKeyCSMHZCQUEIGSHC-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.59
Rot. Bonds6

About 2-[3-aminopropyl(cyclopentyl)amino]-1-piperidin-1-ylethanone

2-[3-aminopropyl(cyclopentyl)amino]-1-piperidin-1-ylethanone (PubChem CID 43319620) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-[3-aminopropyl(cyclopentyl)amino]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[3-aminopropyl(cyclopentyl)amino]-1-piperidin-1-ylethanone
PubChem CID43319620
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-[3-aminopropyl(cyclopentyl)amino]-1-piperidin-1-ylethanone
SMILESNCCCN(CC(=O)N1CCCCC1)C1CCCC1
InChIInChI=1S/C15H29N3O/c16-9-6-12-18(14-7-2-3-8-14)13-15(19)17-10-4-1-5-11-17/h14H,1-13,16H2
InChIKeyCSMHZCQUEIGSHC-UHFFFAOYSA-N
XLogP1.59
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-aminopropyl(cyclopentyl)amino]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[3-aminopropyl(cyclopentyl)amino]-1-piperidin-1-ylethanone (CID 43319620) is 2-[3-aminopropyl(cyclopentyl)amino]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[3-aminopropyl(cyclopentyl)amino]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[3-aminopropyl(cyclopentyl)amino]-1-piperidin-1-ylethanone is NCCCN(CC(=O)N1CCCCC1)C1CCCC1.
What is the InChIKey of 2-[3-aminopropyl(cyclopentyl)amino]-1-piperidin-1-ylethanone?
The InChIKey is CSMHZCQUEIGSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c16-9-6-12-18(14-7-2-3-8-14)13-15(19)17-10-4-1-5-11-17/h14H,1-13,16H2.
What are the key properties of 2-[3-aminopropyl(cyclopentyl)amino]-1-piperidin-1-ylethanone?
2-[3-aminopropyl(cyclopentyl)amino]-1-piperidin-1-ylethanone has a molecular weight of 267.42 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-aminopropyl(cyclopentyl)amino]-1-piperidin-1-ylethanone is sourced from PubChem (CID 43319620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).