1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]piperidine-4-carboxylic acid

C14H25N3O3 — CID 43318538

IUPAC1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]piperidine-4-carboxylic acid
SMILESCCN1CCCC1CNC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C14H25N3O3/c1-2-16-7-3-4-12(16)10-15-14(20)17-8-5-11(6-9-17)13(18)19/h11-12H,2-10H2,1H3,(H,15,20)(H,18,19)
InChIKeyDCLXOKMWDBEEJE-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.98
Rot. Bonds4

About 1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]piperidine-4-carboxylic acid

1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]piperidine-4-carboxylic acid (PubChem CID 43318538) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]piperidine-4-carboxylic acid
PubChem CID43318538
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]piperidine-4-carboxylic acid
SMILESCCN1CCCC1CNC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C14H25N3O3/c1-2-16-7-3-4-12(16)10-15-14(20)17-8-5-11(6-9-17)13(18)19/h11-12H,2-10H2,1H3,(H,15,20)(H,18,19)
InChIKeyDCLXOKMWDBEEJE-UHFFFAOYSA-N
XLogP0.98
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

1-[2-[(1-ethylpyrrolidin-2-yl)methylamino]acetyl]piperidine-4-carboxylic acid
CID 103236027
1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 61191761
1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]azepane-2-carboxylic acid
CID 64564669
1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63145708
4-(adamantane-1-carbonyl)-N-[(1-ethylpiperidin-2-yl)methyl]piperazine-1-carboxamide
CID 86937373
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methane
CID 159182126
1-[(1-butylpiperidin-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122001414
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methanethiol
CID 143677911
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]cyclopropane-1-carboxamide
CID 114995304
N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-1-carbothioamide
CID 43414187
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-(2-methylpropyl)oxamide
CID 7320188
1-[(1-ethylpyrrolidin-2-yl)methyl-methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 79314977

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]piperidine-4-carboxylic acid (CID 43318538) is 1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]piperidine-4-carboxylic acid is CCN1CCCC1CNC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]piperidine-4-carboxylic acid?
The InChIKey is DCLXOKMWDBEEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-2-16-7-3-4-12(16)10-15-14(20)17-8-5-11(6-9-17)13(18)19/h11-12H,2-10H2,1H3,(H,15,20)(H,18,19).
What are the key properties of 1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]piperidine-4-carboxylic acid?
1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]piperidine-4-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 43318538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).