1-(cyclopropylmethyl)-4-methoxycarbonylpiperidine-4-carboxylic acid

C12H19NO4 — CID 165478570

IUPAC1-(cyclopropylmethyl)-4-methoxycarbonylpiperidine-4-carboxylic acid
SMILESCOC(=O)C1(C(=O)O)CCN(CC2CC2)CC1
InChIInChI=1S/C12H19NO4/c1-17-11(16)12(10(14)15)4-6-13(7-5-12)8-9-2-3-9/h9H,2-8H2,1H3,(H,14,15)
InChIKeyWZEUJZGPTDNGGF-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.74
Rot. Bonds4

About 1-(cyclopropylmethyl)-4-methoxycarbonylpiperidine-4-carboxylic acid

1-(cyclopropylmethyl)-4-methoxycarbonylpiperidine-4-carboxylic acid (PubChem CID 165478570) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-methoxycarbonylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-methoxycarbonylpiperidine-4-carboxylic acid
PubChem CID165478570
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name1-(cyclopropylmethyl)-4-methoxycarbonylpiperidine-4-carboxylic acid
SMILESCOC(=O)C1(C(=O)O)CCN(CC2CC2)CC1
InChIInChI=1S/C12H19NO4/c1-17-11(16)12(10(14)15)4-6-13(7-5-12)8-9-2-3-9/h9H,2-8H2,1H3,(H,14,15)
InChIKeyWZEUJZGPTDNGGF-UHFFFAOYSA-N
XLogP0.74
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(cyclopropylmethyl)-4-methylpiperidine-4-carboxylic acid
CID 63124521
1-(cyclopropylmethyl)-4-methylpiperidin-4-ol
CID 114286475
methyl 2-[4-(cyclopropylmethyl)piperazin-1-yl]propanoate
CID 60965667
methyl 4-(cyclopropylmethylamino)-1-propylpiperidine-4-carboxylate
CID 54894020
1-(oxolan-2-ylmethyl)piperidine-4,4-dicarboxylic acid
CID 117007978
(1S,5R)-3-methoxycarbonylbicyclo[3.2.1]octane-3-carboxylic acid
CID 165478572
methyl 1-(cyclobutylmethyl)piperidine-4-carboxylate
CID 65462250
1-[1-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]cyclopropyl]-3-methylurea
CID 138463249
[3-[(1-methylpiperidin-4-yl)methyl]-3-azaspiro[5.5]undecan-9-yl] acetate
CID 176694999
1-[(3,3-difluorocyclopentyl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 114224333
methyl 8-(cyclopropylmethyl)-2-oxo-1-phenylmethoxy-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 71687267
1-[(1-methylpiperidin-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 55035174

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-methoxycarbonylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(cyclopropylmethyl)-4-methoxycarbonylpiperidine-4-carboxylic acid (CID 165478570) is 1-(cyclopropylmethyl)-4-methoxycarbonylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-methoxycarbonylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(cyclopropylmethyl)-4-methoxycarbonylpiperidine-4-carboxylic acid is COC(=O)C1(C(=O)O)CCN(CC2CC2)CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-methoxycarbonylpiperidine-4-carboxylic acid?
The InChIKey is WZEUJZGPTDNGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-17-11(16)12(10(14)15)4-6-13(7-5-12)8-9-2-3-9/h9H,2-8H2,1H3,(H,14,15).
What are the key properties of 1-(cyclopropylmethyl)-4-methoxycarbonylpiperidine-4-carboxylic acid?
1-(cyclopropylmethyl)-4-methoxycarbonylpiperidine-4-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-methoxycarbonylpiperidine-4-carboxylic acid is sourced from PubChem (CID 165478570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).