1-(3-piperidin-4-ylpyrrolidin-1-yl)heptan-1-one

C16H30N2O — CID 115276420

IUPAC1-(3-piperidin-4-ylpyrrolidin-1-yl)heptan-1-one
SMILESCCCCCCC(=O)N1CCC(C2CCNCC2)C1
InChIInChI=1S/C16H30N2O/c1-2-3-4-5-6-16(19)18-12-9-15(13-18)14-7-10-17-11-8-14/h14-15,17H,2-13H2,1H3
InChIKeyREYAAEPAFSRDAP-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.80
Rot. Bonds6

About 1-(3-piperidin-4-ylpyrrolidin-1-yl)heptan-1-one

1-(3-piperidin-4-ylpyrrolidin-1-yl)heptan-1-one (PubChem CID 115276420) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-(3-piperidin-4-ylpyrrolidin-1-yl)heptan-1-one.

Molecular Properties

Compound Name1-(3-piperidin-4-ylpyrrolidin-1-yl)heptan-1-one
PubChem CID115276420
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-(3-piperidin-4-ylpyrrolidin-1-yl)heptan-1-one
SMILESCCCCCCC(=O)N1CCC(C2CCNCC2)C1
InChIInChI=1S/C16H30N2O/c1-2-3-4-5-6-16(19)18-12-9-15(13-18)14-7-10-17-11-8-14/h14-15,17H,2-13H2,1H3
InChIKeyREYAAEPAFSRDAP-UHFFFAOYSA-N
XLogP2.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 767567
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4-(Piperidin-4-yl)pyrrolidin-2-one
CID 75481059
1-(4-Piperidin-4-ylpiperidin-1-yl)pentadecan-1-one;hydrochloride
CID 11532034
3-Dodecylpyrrolidin-2-one
CID 21881336
N,N-Dimethyl-3-(piperidin-4-yl)propanamide
CID 20569934
4-(Piperidin-3-yl)pyrrolidin-2-one
CID 75481060
1-(4-Piperidin-4-ylpiperidin-1-yl)heptadecan-1-one;hydrochloride
CID 11532641
1-(4-Piperidin-4-ylpiperidin-1-yl)tridecan-1-one;hydrochloride
CID 11661301
N-((1-isopropylpiperidin-4-yl)methyl)cyclohexanecarboxamide
CID 16895432
N-[3-(4-methylpiperidin-1-yl)propyl]cyclohexanecarboxamide
CID 45850479
2-Cyclohexyl-1-(2,9-diazaspiro[4.5]decan-2-yl)ethanone
CID 128886921

Frequently Asked Questions

What is the IUPAC name of 1-(3-piperidin-4-ylpyrrolidin-1-yl)heptan-1-one?
The IUPAC name of 1-(3-piperidin-4-ylpyrrolidin-1-yl)heptan-1-one (CID 115276420) is 1-(3-piperidin-4-ylpyrrolidin-1-yl)heptan-1-one.
What is the SMILES notation for 1-(3-piperidin-4-ylpyrrolidin-1-yl)heptan-1-one?
The canonical SMILES for 1-(3-piperidin-4-ylpyrrolidin-1-yl)heptan-1-one is CCCCCCC(=O)N1CCC(C2CCNCC2)C1.
What is the InChIKey of 1-(3-piperidin-4-ylpyrrolidin-1-yl)heptan-1-one?
The InChIKey is REYAAEPAFSRDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-2-3-4-5-6-16(19)18-12-9-15(13-18)14-7-10-17-11-8-14/h14-15,17H,2-13H2,1H3.
What are the key properties of 1-(3-piperidin-4-ylpyrrolidin-1-yl)heptan-1-one?
1-(3-piperidin-4-ylpyrrolidin-1-yl)heptan-1-one has a molecular weight of 266.43 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-piperidin-4-ylpyrrolidin-1-yl)heptan-1-one is sourced from PubChem (CID 115276420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).