1-[4-(acetamidomethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid

C14H23N3O4 — CID 102736752

IUPAC1-[4-(acetamidomethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid
SMILESCC(=O)NCC1CCN(C(=O)N2CCC(C(=O)O)C2)CC1
InChIInChI=1S/C14H23N3O4/c1-10(18)15-8-11-2-5-16(6-3-11)14(21)17-7-4-12(9-17)13(19)20/h11-12H,2-9H2,1H3,(H,15,18)(H,19,20)
InChIKeyMJNOWHQXBDDIJC-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.36
Rot. Bonds3

About 1-[4-(acetamidomethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid

1-[4-(acetamidomethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid (PubChem CID 102736752) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-[4-(acetamidomethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-(acetamidomethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid
PubChem CID102736752
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name1-[4-(acetamidomethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid
SMILESCC(=O)NCC1CCN(C(=O)N2CCC(C(=O)O)C2)CC1
InChIInChI=1S/C14H23N3O4/c1-10(18)15-8-11-2-5-16(6-3-11)14(21)17-7-4-12(9-17)13(19)20/h11-12H,2-9H2,1H3,(H,15,18)(H,19,20)
InChIKeyMJNOWHQXBDDIJC-UHFFFAOYSA-N
XLogP0.36
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-(acetamidomethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(acetamidomethyl)piperidine-1-carbonyl]azetidine-3-carboxylic acid
CID 102736737
N-[[1-(4-methylpiperidine-1-carbonyl)piperidin-4-yl]methyl]acetamide
CID 102736162
1-(4-propylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 55151760
1-[(1-ethylpiperidin-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63032278
3-[4-(acetamidomethyl)piperidin-1-yl]-3-oxopropanoic acid
CID 102736982
cis-(1S,2R)-2-[4-(acetamidomethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 114093135
(3R)-1-(4-methoxycarbonylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81127706
1-(4,4-dimethylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 63032464
azepan-1-yl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 79152654
1-(3-carbamoylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 114082318
1-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 63030858
N-[[1-(N'-methylcarbamimidoyl)piperidin-4-yl]methyl]acetamide
CID 102736501

Frequently Asked Questions

What is the IUPAC name of 1-[4-(acetamidomethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[4-(acetamidomethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid (CID 102736752) is 1-[4-(acetamidomethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[4-(acetamidomethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[4-(acetamidomethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid is CC(=O)NCC1CCN(C(=O)N2CCC(C(=O)O)C2)CC1.
What is the InChIKey of 1-[4-(acetamidomethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid?
The InChIKey is MJNOWHQXBDDIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-10(18)15-8-11-2-5-16(6-3-11)14(21)17-7-4-12(9-17)13(19)20/h11-12H,2-9H2,1H3,(H,15,18)(H,19,20).
What are the key properties of 1-[4-(acetamidomethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid?
1-[4-(acetamidomethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid has a molecular weight of 297.36 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(acetamidomethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 102736752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).