1-[ethyl(piperidin-4-yl)carbamoyl]piperidine-4-carboxylic acid

C14H25N3O3 — CID 61408507

IUPAC1-[ethyl(piperidin-4-yl)carbamoyl]piperidine-4-carboxylic acid
SMILESCCN(C(=O)N1CCC(C(=O)O)CC1)C1CCNCC1
InChIInChI=1S/C14H25N3O3/c1-2-17(12-3-7-15-8-4-12)14(20)16-9-5-11(6-10-16)13(18)19/h11-12,15H,2-10H2,1H3,(H,18,19)
InChIKeyLAGKHQIJGPDTRR-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.98
Rot. Bonds3

About 1-[ethyl(piperidin-4-yl)carbamoyl]piperidine-4-carboxylic acid

1-[ethyl(piperidin-4-yl)carbamoyl]piperidine-4-carboxylic acid (PubChem CID 61408507) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[ethyl(piperidin-4-yl)carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[ethyl(piperidin-4-yl)carbamoyl]piperidine-4-carboxylic acid
PubChem CID61408507
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name1-[ethyl(piperidin-4-yl)carbamoyl]piperidine-4-carboxylic acid
SMILESCCN(C(=O)N1CCC(C(=O)O)CC1)C1CCNCC1
InChIInChI=1S/C14H25N3O3/c1-2-17(12-3-7-15-8-4-12)14(20)16-9-5-11(6-10-16)13(18)19/h11-12,15H,2-10H2,1H3,(H,18,19)
InChIKeyLAGKHQIJGPDTRR-UHFFFAOYSA-N
XLogP0.98
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-piperidin-4-yl-N-propylazepane-1-carboxamide
CID 79152738
1-[ethyl(piperidin-4-yl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79382956
4-[piperidin-4-yl(propyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782800
1-[cyclopropyl(cyclopropylmethyl)carbamoyl]piperidine-4-carboxylic acid
CID 64522393
N-ethyl-4-methyl-N-piperidin-3-ylpiperidine-1-carboxamide
CID 79160027
N-ethyl-2-methyl-N-piperidin-4-ylpropanamide
CID 23369986
N-(2-amino-2-oxoethyl)-N-piperidin-4-ylpiperidine-1-carboxamide
CID 79155022
cis-(1R,3S)-3-[[ethyl(piperidin-4-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319383
N-propyl-1-(pyrrolidine-1-carbonyl)-N-pyrrolidin-3-ylpiperidine-4-carboxamide
CID 119531751
2-ethyl-3-[ethyl(piperidin-4-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63781994
N-(4-aminocyclohexyl)-N-ethylazepane-1-carboxamide
CID 79152914
1-[ethyl(3-hydroxypropyl)carbamoyl]piperidine-4-carboxylic acid
CID 113468850

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(piperidin-4-yl)carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[ethyl(piperidin-4-yl)carbamoyl]piperidine-4-carboxylic acid (CID 61408507) is 1-[ethyl(piperidin-4-yl)carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[ethyl(piperidin-4-yl)carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[ethyl(piperidin-4-yl)carbamoyl]piperidine-4-carboxylic acid is CCN(C(=O)N1CCC(C(=O)O)CC1)C1CCNCC1.
What is the InChIKey of 1-[ethyl(piperidin-4-yl)carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is LAGKHQIJGPDTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-2-17(12-3-7-15-8-4-12)14(20)16-9-5-11(6-10-16)13(18)19/h11-12,15H,2-10H2,1H3,(H,18,19).
What are the key properties of 1-[ethyl(piperidin-4-yl)carbamoyl]piperidine-4-carboxylic acid?
1-[ethyl(piperidin-4-yl)carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(piperidin-4-yl)carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 61408507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).