4-[[4-(ethoxycarbonylamino)piperidin-4-yl]methyl]-3-oxopiperazine-1-carboxylic acid

C14H24N4O5 — CID 91181663

IUPAC4-[[4-(ethoxycarbonylamino)piperidin-4-yl]methyl]-3-oxopiperazine-1-carboxylic acid
SMILESCCOC(=O)NC1(CN2CCN(C(=O)O)CC2=O)CCNCC1
InChIInChI=1S/C14H24N4O5/c1-2-23-12(20)16-14(3-5-15-6-4-14)10-18-8-7-17(13(21)22)9-11(18)19/h15H,2-10H2,1H3,(H,16,20)(H,21,22)
InChIKeyBLZSXRONSRARFH-UHFFFAOYSA-N
MW328.37 g/mol
LogP-0.32
Rot. Bonds4

About 4-[[4-(ethoxycarbonylamino)piperidin-4-yl]methyl]-3-oxopiperazine-1-carboxylic acid

4-[[4-(ethoxycarbonylamino)piperidin-4-yl]methyl]-3-oxopiperazine-1-carboxylic acid (PubChem CID 91181663) has the molecular formula C14H24N4O5 and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-[[4-(ethoxycarbonylamino)piperidin-4-yl]methyl]-3-oxopiperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[4-(ethoxycarbonylamino)piperidin-4-yl]methyl]-3-oxopiperazine-1-carboxylic acid
PubChem CID91181663
Molecular FormulaC14H24N4O5
Molecular Weight328.37 g/mol
Exact Mass328.17
IUPAC Name4-[[4-(ethoxycarbonylamino)piperidin-4-yl]methyl]-3-oxopiperazine-1-carboxylic acid
SMILESCCOC(=O)NC1(CN2CCN(C(=O)O)CC2=O)CCNCC1
InChIInChI=1S/C14H24N4O5/c1-2-23-12(20)16-14(3-5-15-6-4-14)10-18-8-7-17(13(21)22)9-11(18)19/h15H,2-10H2,1H3,(H,16,20)(H,21,22)
InChIKeyBLZSXRONSRARFH-UHFFFAOYSA-N
XLogP-0.32
TPSA111.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[4-(ethoxycarbonylamino)piperidin-4-yl]methyl]-3-oxopiperazine-1-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

tert-Butyl 2-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylate
CID 118798342
Ethyl 4-(2-(tert-butylamino)-2-oxoacetamido)piperidine-1-carboxylate
CID 45497341
1-{[1-(tert-Butoxycarbonyl)-4-ethoxycarbonylamino-4-piperidinyl]methyl}-2-piperazinone
CID 21948286
2-[2-(1-Methoxycarbonylpiperidin-4-yl)ethylcarbamoyl]piperazine-1-carboxylic acid
CID 70096934
4-[[4-(Ethoxycarbonylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]-3-oxopiperazine-1-carboxylic acid
CID 91052807
1-Tert-butyl-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylic acid
CID 118555554
4-(Aminomethyl)-4-(ethoxycarbonylamino)piperidine-1-carboxylic acid
CID 124138556
propan-2-yl N-[1-methyl-4-(piperazin-1-ylmethyl)piperidin-4-yl]carbamate
CID 134435611
Propyl 1,4,9-triazaspiro[5.5]undecane-1-carboxylate
CID 141044155
2-Oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylic acid
CID 151434915
Butyl 1,4,9-triazaspiro[5.5]undecane-9-carboxylate
CID 153825811
Tert-butyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(piperazine-1-carbonyl)piperidine-1-carboxylate
CID 166109885

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(ethoxycarbonylamino)piperidin-4-yl]methyl]-3-oxopiperazine-1-carboxylic acid?
The IUPAC name of 4-[[4-(ethoxycarbonylamino)piperidin-4-yl]methyl]-3-oxopiperazine-1-carboxylic acid (CID 91181663) is 4-[[4-(ethoxycarbonylamino)piperidin-4-yl]methyl]-3-oxopiperazine-1-carboxylic acid.
What is the SMILES notation for 4-[[4-(ethoxycarbonylamino)piperidin-4-yl]methyl]-3-oxopiperazine-1-carboxylic acid?
The canonical SMILES for 4-[[4-(ethoxycarbonylamino)piperidin-4-yl]methyl]-3-oxopiperazine-1-carboxylic acid is CCOC(=O)NC1(CN2CCN(C(=O)O)CC2=O)CCNCC1.
What is the InChIKey of 4-[[4-(ethoxycarbonylamino)piperidin-4-yl]methyl]-3-oxopiperazine-1-carboxylic acid?
The InChIKey is BLZSXRONSRARFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O5/c1-2-23-12(20)16-14(3-5-15-6-4-14)10-18-8-7-17(13(21)22)9-11(18)19/h15H,2-10H2,1H3,(H,16,20)(H,21,22).
What are the key properties of 4-[[4-(ethoxycarbonylamino)piperidin-4-yl]methyl]-3-oxopiperazine-1-carboxylic acid?
4-[[4-(ethoxycarbonylamino)piperidin-4-yl]methyl]-3-oxopiperazine-1-carboxylic acid has a molecular weight of 328.37 g/mol, XLogP of -0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(ethoxycarbonylamino)piperidin-4-yl]methyl]-3-oxopiperazine-1-carboxylic acid is sourced from PubChem (CID 91181663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).