1-(4-methylazepane-1-carbonyl)piperidine-3-carboxylic acid

C14H24N2O3 — CID 63627410

IUPAC1-(4-methylazepane-1-carbonyl)piperidine-3-carboxylic acid
SMILESCC1CCCN(C(=O)N2CCCC(C(=O)O)C2)CC1
InChIInChI=1S/C14H24N2O3/c1-11-4-2-7-15(9-6-11)14(19)16-8-3-5-12(10-16)13(17)18/h11-12H,2-10H2,1H3,(H,17,18)
InChIKeyIPWPVOPXUYFPNU-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.03
Rot. Bonds1

About 1-(4-methylazepane-1-carbonyl)piperidine-3-carboxylic acid

1-(4-methylazepane-1-carbonyl)piperidine-3-carboxylic acid (PubChem CID 63627410) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(4-methylazepane-1-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-methylazepane-1-carbonyl)piperidine-3-carboxylic acid
PubChem CID63627410
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-(4-methylazepane-1-carbonyl)piperidine-3-carboxylic acid
SMILESCC1CCCN(C(=O)N2CCCC(C(=O)O)C2)CC1
InChIInChI=1S/C14H24N2O3/c1-11-4-2-7-15(9-6-11)14(19)16-8-3-5-12(10-16)13(17)18/h11-12H,2-10H2,1H3,(H,17,18)
InChIKeyIPWPVOPXUYFPNU-UHFFFAOYSA-N
XLogP2.03
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-(3,4-dimethylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81123191
1-[4-(dimethylamino)piperidine-1-carbonyl]piperidine-3-carboxylic acid
CID 43586350
(3S)-1-(4-aminopiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81125729
1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119136251
(3R)-1-(4-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 104941009
(3R)-1-(4-methoxycarbonylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81127706
azetidin-1-yl-(3-methylpyrrolidin-1-yl)methanone
CID 166738845
1-(4-methylsulfanylpiperazine-1-carbonyl)piperidine-3-carboxylic acid
CID 123306117
(3R)-1-(3,4-dihydroxypyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 106670650
(3R)-1-(3-methoxy-4-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 102962808
(3R)-1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl)piperidine-3-carboxylic acid
CID 81126775
(3R)-1-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81120190

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylazepane-1-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(4-methylazepane-1-carbonyl)piperidine-3-carboxylic acid (CID 63627410) is 1-(4-methylazepane-1-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-methylazepane-1-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(4-methylazepane-1-carbonyl)piperidine-3-carboxylic acid is CC1CCCN(C(=O)N2CCCC(C(=O)O)C2)CC1.
What is the InChIKey of 1-(4-methylazepane-1-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is IPWPVOPXUYFPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-11-4-2-7-15(9-6-11)14(19)16-8-3-5-12(10-16)13(17)18/h11-12H,2-10H2,1H3,(H,17,18).
What are the key properties of 1-(4-methylazepane-1-carbonyl)piperidine-3-carboxylic acid?
1-(4-methylazepane-1-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylazepane-1-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 63627410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).