1-pentadecyl-5-(propan-2-ylamino)piperidin-2-one

C23H46N2O — CID 167356479

IUPAC1-pentadecyl-5-(propan-2-ylamino)piperidin-2-one
SMILESCCCCCCCCCCCCCCCN1CC(NC(C)C)CCC1=O
InChIInChI=1S/C23H46N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-25-20-22(24-21(2)3)17-18-23(25)26/h21-22,24H,4-20H2,1-3H3
InChIKeySHZHBIPOWDCBIU-UHFFFAOYSA-N
MW366.63 g/mol
LogP6.07
Rot. Bonds16

About 1-pentadecyl-5-(propan-2-ylamino)piperidin-2-one

1-pentadecyl-5-(propan-2-ylamino)piperidin-2-one (PubChem CID 167356479) has the molecular formula C23H46N2O and a molecular weight of 366.63 g/mol. Its IUPAC name is 1-pentadecyl-5-(propan-2-ylamino)piperidin-2-one.

Molecular Properties

Compound Name1-pentadecyl-5-(propan-2-ylamino)piperidin-2-one
PubChem CID167356479
Molecular FormulaC23H46N2O
Molecular Weight366.63 g/mol
Exact Mass366.36
IUPAC Name1-pentadecyl-5-(propan-2-ylamino)piperidin-2-one
SMILESCCCCCCCCCCCCCCCN1CC(NC(C)C)CCC1=O
InChIInChI=1S/C23H46N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-25-20-22(24-21(2)3)17-18-23(25)26/h21-22,24H,4-20H2,1-3H3
InChIKeySHZHBIPOWDCBIU-UHFFFAOYSA-N
XLogP6.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.63
LogP ≤ 56.07
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

1-pentadecyl-5-propan-2-ylpiperidin-2-one
CID 166871927
5-amino-1-dodecylpiperidin-2-one
CID 64977984
tert-butyl N-[(3S)-6-oxo-1-pentadecylpiperidin-3-yl]carbamate
CID 167356860
1-methyl-5-(propan-2-ylamino)piperidin-2-one
CID 64655115
5-amino-1-pentylpiperidin-2-one
CID 64977965
6-oxo-1-tetradecylpiperidine-3-carboxylic acid
CID 123215271
1-butyl-5-propan-2-ylpiperidin-2-one
CID 139951242
6-oxo-1-pentylpiperidine-3-carboxylic acid
CID 62230465
1-butyl-5-(2-methylpropyl)piperidin-2-one
CID 139951244
1-dodecylpyrrolidin-2-one
CID 70222371
1-hexylpyrrolidin-2-one
CID 158904818
5-amino-1-butylpiperidin-2-one
CID 64978058

Frequently Asked Questions

What is the IUPAC name of 1-pentadecyl-5-(propan-2-ylamino)piperidin-2-one?
The IUPAC name of 1-pentadecyl-5-(propan-2-ylamino)piperidin-2-one (CID 167356479) is 1-pentadecyl-5-(propan-2-ylamino)piperidin-2-one.
What is the SMILES notation for 1-pentadecyl-5-(propan-2-ylamino)piperidin-2-one?
The canonical SMILES for 1-pentadecyl-5-(propan-2-ylamino)piperidin-2-one is CCCCCCCCCCCCCCCN1CC(NC(C)C)CCC1=O.
What is the InChIKey of 1-pentadecyl-5-(propan-2-ylamino)piperidin-2-one?
The InChIKey is SHZHBIPOWDCBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-25-20-22(24-21(2)3)17-18-23(25)26/h21-22,24H,4-20H2,1-3H3.
What are the key properties of 1-pentadecyl-5-(propan-2-ylamino)piperidin-2-one?
1-pentadecyl-5-(propan-2-ylamino)piperidin-2-one has a molecular weight of 366.63 g/mol, XLogP of 6.07, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentadecyl-5-(propan-2-ylamino)piperidin-2-one is sourced from PubChem (CID 167356479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).