1-ethyl-2-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]piperidine-4-carboxylic acid

C18H33N5O3 — CID 67598648

IUPAC1-ethyl-2-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]piperidine-4-carboxylic acid
SMILESCCN1CCC(C(=O)O)CC1NC(=O)N1CCN(C2CCNCC2)CC1
InChIInChI=1S/C18H33N5O3/c1-2-21-8-5-14(17(24)25)13-16(21)20-18(26)23-11-9-22(10-12-23)15-3-6-19-7-4-15/h14-16,19H,2-13H2,1H3,(H,20,26)(H,24,25)
InChIKeyXNQAYDOEHNIOLX-UHFFFAOYSA-N
MW367.49 g/mol
LogP0.21
Rot. Bonds4

About 1-ethyl-2-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]piperidine-4-carboxylic acid

1-ethyl-2-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]piperidine-4-carboxylic acid (PubChem CID 67598648) has the molecular formula C18H33N5O3 and a molecular weight of 367.49 g/mol. Its IUPAC name is 1-ethyl-2-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-2-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]piperidine-4-carboxylic acid
PubChem CID67598648
Molecular FormulaC18H33N5O3
Molecular Weight367.49 g/mol
Exact Mass367.26
IUPAC Name1-ethyl-2-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]piperidine-4-carboxylic acid
SMILESCCN1CCC(C(=O)O)CC1NC(=O)N1CCN(C2CCNCC2)CC1
InChIInChI=1S/C18H33N5O3/c1-2-21-8-5-14(17(24)25)13-16(21)20-18(26)23-11-9-22(10-12-23)15-3-6-19-7-4-15/h14-16,19H,2-13H2,1H3,(H,20,26)(H,24,25)
InChIKeyXNQAYDOEHNIOLX-UHFFFAOYSA-N
XLogP0.21
TPSA88.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-2-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]piperidine-4-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

3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]cyclohexyl]propanoic acid;dihydrochloride
CID 67762666
3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]piperidin-1-yl]propanoic acid;dihydrochloride
CID 67762474
ethane;1-(4-piperidin-4-ylpiperazin-1-yl)ethanone
CID 145305613
cis-(1R,3S)-3-(piperazine-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 106319369
4-[(4-cyclopropylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61443231
cis-(1R,3S)-3-[(4-ethylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 114173620
[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]piperidin-1-yl] acetate;dihydrochloride
CID 174395143
ethane;1-(4-piperidin-4-ylpiperazin-1-yl)ethanone;propan-1-amine
CID 142549044
N-(4-methylpiperidin-3-yl)pyrrolidine-1-carboxamide
CID 79161523
4-(piperazine-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 19391498
N-ethyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 70915121
2-piperazin-1-yl-1-(4-piperidin-4-ylpiperazin-1-yl)ethanone
CID 170084161

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]piperidine-4-carboxylic acid?
The IUPAC name of 1-ethyl-2-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]piperidine-4-carboxylic acid (CID 67598648) is 1-ethyl-2-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-ethyl-2-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]piperidine-4-carboxylic acid?
The canonical SMILES for 1-ethyl-2-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]piperidine-4-carboxylic acid is CCN1CCC(C(=O)O)CC1NC(=O)N1CCN(C2CCNCC2)CC1.
What is the InChIKey of 1-ethyl-2-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]piperidine-4-carboxylic acid?
The InChIKey is XNQAYDOEHNIOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N5O3/c1-2-21-8-5-14(17(24)25)13-16(21)20-18(26)23-11-9-22(10-12-23)15-3-6-19-7-4-15/h14-16,19H,2-13H2,1H3,(H,20,26)(H,24,25).
What are the key properties of 1-ethyl-2-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]piperidine-4-carboxylic acid?
1-ethyl-2-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]piperidine-4-carboxylic acid has a molecular weight of 367.49 g/mol, XLogP of 0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]piperidine-4-carboxylic acid is sourced from PubChem (CID 67598648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).