1-[(4R)-4-methyl-3-prop-1-en-2-ylpiperidin-1-yl]heptan-1-one

C16H29NO — CID 167263196

IUPAC1-[(4R)-4-methyl-3-prop-1-en-2-ylpiperidin-1-yl]heptan-1-one
SMILESC=C(C)C1CN(C(=O)CCCCCC)CC[C@H]1C
InChIInChI=1S/C16H29NO/c1-5-6-7-8-9-16(18)17-11-10-14(4)15(12-17)13(2)3/h14-15H,2,5-12H2,1,3-4H3/t14-,15?/m1/s1
InChIKeyMXRRSBVPXNUAHQ-GICMACPYSA-N
MW251.41 g/mol
LogP4.02
Rot. Bonds6

About 1-[(4R)-4-methyl-3-prop-1-en-2-ylpiperidin-1-yl]heptan-1-one

1-[(4R)-4-methyl-3-prop-1-en-2-ylpiperidin-1-yl]heptan-1-one (PubChem CID 167263196) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 1-[(4R)-4-methyl-3-prop-1-en-2-ylpiperidin-1-yl]heptan-1-one.

Molecular Properties

Compound Name1-[(4R)-4-methyl-3-prop-1-en-2-ylpiperidin-1-yl]heptan-1-one
PubChem CID167263196
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name1-[(4R)-4-methyl-3-prop-1-en-2-ylpiperidin-1-yl]heptan-1-one
SMILESC=C(C)C1CN(C(=O)CCCCCC)CC[C@H]1C
InChIInChI=1S/C16H29NO/c1-5-6-7-8-9-16(18)17-11-10-14(4)15(12-17)13(2)3/h14-15H,2,5-12H2,1,3-4H3/t14-,15?/m1/s1
InChIKeyMXRRSBVPXNUAHQ-GICMACPYSA-N
XLogP4.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-4-methylpiperidin-1-yl)decan-1-one
CID 102961471
1-(3-hydroxy-4-methylpiperidin-1-yl)decan-1-one
CID 103900332
1-[3-(aminomethyl)-4-methylpiperidin-1-yl]octan-1-one
CID 114960528
1-(4-amino-3-methylpiperidin-1-yl)octan-1-one
CID 79880598
1-(4-methylpiperidin-1-yl)tetradecan-1-one
CID 10425459
1-heptanoyl-4-methylpyrrolidine-3-carboxylic acid
CID 63722075
1-(3-aminopyrrolidin-1-yl)dodecan-1-one
CID 65428474
1-(3-chloropyrrolidin-1-yl)hexan-1-one
CID 63394452
1-(3-methylpyrrolidin-1-yl)pentan-1-one
CID 68735226
1-[(3S)-3-hydroxypiperidin-1-yl]decan-1-one
CID 94842553
1-(3-hydroxyazetidin-1-yl)dodecan-1-one
CID 65428081
1-(3-hydroxyazetidin-1-yl)nonan-1-one
CID 63105492

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-methyl-3-prop-1-en-2-ylpiperidin-1-yl]heptan-1-one?
The IUPAC name of 1-[(4R)-4-methyl-3-prop-1-en-2-ylpiperidin-1-yl]heptan-1-one (CID 167263196) is 1-[(4R)-4-methyl-3-prop-1-en-2-ylpiperidin-1-yl]heptan-1-one.
What is the SMILES notation for 1-[(4R)-4-methyl-3-prop-1-en-2-ylpiperidin-1-yl]heptan-1-one?
The canonical SMILES for 1-[(4R)-4-methyl-3-prop-1-en-2-ylpiperidin-1-yl]heptan-1-one is C=C(C)C1CN(C(=O)CCCCCC)CC[C@H]1C.
What is the InChIKey of 1-[(4R)-4-methyl-3-prop-1-en-2-ylpiperidin-1-yl]heptan-1-one?
The InChIKey is MXRRSBVPXNUAHQ-GICMACPYSA-N. The full InChI is InChI=1S/C16H29NO/c1-5-6-7-8-9-16(18)17-11-10-14(4)15(12-17)13(2)3/h14-15H,2,5-12H2,1,3-4H3/t14-,15?/m1/s1.
What are the key properties of 1-[(4R)-4-methyl-3-prop-1-en-2-ylpiperidin-1-yl]heptan-1-one?
1-[(4R)-4-methyl-3-prop-1-en-2-ylpiperidin-1-yl]heptan-1-one has a molecular weight of 251.41 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-methyl-3-prop-1-en-2-ylpiperidin-1-yl]heptan-1-one is sourced from PubChem (CID 167263196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).