8-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]nonane-1,7-dione

C18H34N2O2 — CID 170583680

IUPAC8-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]nonane-1,7-dione
SMILESCC(C)NC1CCN(C(=O)CCCCCC(=O)C(C)C)CC1
InChIInChI=1S/C18H34N2O2/c1-14(2)17(21)8-6-5-7-9-18(22)20-12-10-16(11-13-20)19-15(3)4/h14-16,19H,5-13H2,1-4H3
InChIKeyUYFPCLQKMVARAM-UHFFFAOYSA-N
MW310.48 g/mol
LogP3.15
Rot. Bonds9

About 8-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]nonane-1,7-dione

8-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]nonane-1,7-dione (PubChem CID 170583680) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is 8-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]nonane-1,7-dione.

Molecular Properties

Compound Name8-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]nonane-1,7-dione
PubChem CID170583680
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Name8-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]nonane-1,7-dione
SMILESCC(C)NC1CCN(C(=O)CCCCCC(=O)C(C)C)CC1
InChIInChI=1S/C18H34N2O2/c1-14(2)17(21)8-6-5-7-9-18(22)20-12-10-16(11-13-20)19-15(3)4/h14-16,19H,5-13H2,1-4H3
InChIKeyUYFPCLQKMVARAM-UHFFFAOYSA-N
XLogP3.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 53.15
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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Related Compounds

7-methyl-1-piperidin-1-yloctane-1,6-dione
CID 166128163
N-[1-(6-aminohexanoyl)piperidin-4-yl]-2-methylpropanamide
CID 60947434
2-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]propan-1-one
CID 43747822
2-methoxy-1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone
CID 43747632
5-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one
CID 103503955
1-[4-(methylamino)piperidin-1-yl]hexan-1-one
CID 60818219
7-amino-1-(4-propan-2-ylpiperidin-1-yl)heptan-1-one;hydrochloride
CID 119806012
N-[1-[4-(propan-2-ylamino)butanoyl]piperidin-4-yl]propanamide
CID 60947455
4-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one;hydrochloride
CID 119806019
4-methyl-1-[4-(methylamino)piperidin-1-yl]pentan-1-one;hydrochloride
CID 119562078
5,5-dimethyl-1-[4-(methylamino)piperidin-1-yl]hexan-1-one
CID 119564039
N-[1-(5-methoxypentanoyl)piperidin-4-yl]formamide
CID 155599544

Frequently Asked Questions

What is the IUPAC name of 8-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]nonane-1,7-dione?
The IUPAC name of 8-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]nonane-1,7-dione (CID 170583680) is 8-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]nonane-1,7-dione.
What is the SMILES notation for 8-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]nonane-1,7-dione?
The canonical SMILES for 8-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]nonane-1,7-dione is CC(C)NC1CCN(C(=O)CCCCCC(=O)C(C)C)CC1.
What is the InChIKey of 8-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]nonane-1,7-dione?
The InChIKey is UYFPCLQKMVARAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-14(2)17(21)8-6-5-7-9-18(22)20-12-10-16(11-13-20)19-15(3)4/h14-16,19H,5-13H2,1-4H3.
What are the key properties of 8-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]nonane-1,7-dione?
8-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]nonane-1,7-dione has a molecular weight of 310.48 g/mol, XLogP of 3.15, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]nonane-1,7-dione is sourced from PubChem (CID 170583680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).