7-piperazin-1-yl-1-pyrrolidin-1-ylheptan-1-one

C15H29N3O — CID 19797277

IUPAC7-piperazin-1-yl-1-pyrrolidin-1-ylheptan-1-one
SMILESO=C(CCCCCCN1CCNCC1)N1CCCC1
InChIInChI=1S/C15H29N3O/c19-15(18-11-5-6-12-18)7-3-1-2-4-10-17-13-8-16-9-14-17/h16H,1-14H2
InChIKeyIXBVGPPRKTXVRX-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.46
Rot. Bonds7

About 7-piperazin-1-yl-1-pyrrolidin-1-ylheptan-1-one

7-piperazin-1-yl-1-pyrrolidin-1-ylheptan-1-one (PubChem CID 19797277) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 7-piperazin-1-yl-1-pyrrolidin-1-ylheptan-1-one.

Molecular Properties

Compound Name7-piperazin-1-yl-1-pyrrolidin-1-ylheptan-1-one
PubChem CID19797277
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name7-piperazin-1-yl-1-pyrrolidin-1-ylheptan-1-one
SMILESO=C(CCCCCCN1CCNCC1)N1CCCC1
InChIInChI=1S/C15H29N3O/c19-15(18-11-5-6-12-18)7-3-1-2-4-10-17-13-8-16-9-14-17/h16H,1-14H2
InChIKeyIXBVGPPRKTXVRX-UHFFFAOYSA-N
XLogP1.46
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-piperazin-1-yl-1-pyrrolidin-1-ylheptan-1-one?
The IUPAC name of 7-piperazin-1-yl-1-pyrrolidin-1-ylheptan-1-one (CID 19797277) is 7-piperazin-1-yl-1-pyrrolidin-1-ylheptan-1-one.
What is the SMILES notation for 7-piperazin-1-yl-1-pyrrolidin-1-ylheptan-1-one?
The canonical SMILES for 7-piperazin-1-yl-1-pyrrolidin-1-ylheptan-1-one is O=C(CCCCCCN1CCNCC1)N1CCCC1.
What is the InChIKey of 7-piperazin-1-yl-1-pyrrolidin-1-ylheptan-1-one?
The InChIKey is IXBVGPPRKTXVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c19-15(18-11-5-6-12-18)7-3-1-2-4-10-17-13-8-16-9-14-17/h16H,1-14H2.
What are the key properties of 7-piperazin-1-yl-1-pyrrolidin-1-ylheptan-1-one?
7-piperazin-1-yl-1-pyrrolidin-1-ylheptan-1-one has a molecular weight of 267.42 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperazin-1-yl-1-pyrrolidin-1-ylheptan-1-one is sourced from PubChem (CID 19797277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).