2-[2-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]anilino]acetic acid

C18H27N5O3 — CID 67598581

IUPAC2-[2-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]anilino]acetic acid
SMILESO=C(O)CNc1ccccc1NC(=O)N1CCN(C2CCNCC2)CC1
InChIInChI=1S/C18H27N5O3/c24-17(25)13-20-15-3-1-2-4-16(15)21-18(26)23-11-9-22(10-12-23)14-5-7-19-8-6-14/h1-4,14,19-20H,5-13H2,(H,21,26)(H,24,25)
InChIKeyXEPBUFKZEZOTFK-UHFFFAOYSA-N
MW361.45 g/mol
LogP1.08
Rot. Bonds5

About 2-[2-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]anilino]acetic acid

2-[2-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]anilino]acetic acid (PubChem CID 67598581) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-[2-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]anilino]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]anilino]acetic acid
PubChem CID67598581
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC Name2-[2-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]anilino]acetic acid
SMILESO=C(O)CNc1ccccc1NC(=O)N1CCN(C2CCNCC2)CC1
InChIInChI=1S/C18H27N5O3/c24-17(25)13-20-15-3-1-2-4-16(15)21-18(26)23-11-9-22(10-12-23)14-5-7-19-8-6-14/h1-4,14,19-20H,5-13H2,(H,21,26)(H,24,25)
InChIKeyXEPBUFKZEZOTFK-UHFFFAOYSA-N
XLogP1.08
TPSA96.94 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 51.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromophenyl)-4-cyclopropylpiperazine-1-carboxamide
CID 113103489
methyl 2-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]anilino]acetate
CID 67762871
4-cyclopropyl-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 51096006
benzyl 4-piperidin-4-ylpiperazine-1-carboxylate
CID 57470863
N-[2-(3-methoxyphenyl)phenyl]-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride
CID 154903511
4-cycloheptyl-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 113110513
N-(1-benzylpiperidin-4-yl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride
CID 154904810
4-cyclopentyl-N-(2,3-dichlorophenyl)piperazine-1-carboxamide
CID 17185082
ethyl 2-[(4-cyclopentylpiperazine-1-carbonyl)amino]benzoate
CID 113104471
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
2-cyclopentyl-2-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]phenoxy]acetic acid
CID 139782807

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]anilino]acetic acid?
The IUPAC name of 2-[2-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]anilino]acetic acid (CID 67598581) is 2-[2-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]anilino]acetic acid.
What is the SMILES notation for 2-[2-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]anilino]acetic acid?
The canonical SMILES for 2-[2-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]anilino]acetic acid is O=C(O)CNc1ccccc1NC(=O)N1CCN(C2CCNCC2)CC1.
What is the InChIKey of 2-[2-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]anilino]acetic acid?
The InChIKey is XEPBUFKZEZOTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3/c24-17(25)13-20-15-3-1-2-4-16(15)21-18(26)23-11-9-22(10-12-23)14-5-7-19-8-6-14/h1-4,14,19-20H,5-13H2,(H,21,26)(H,24,25).
What are the key properties of 2-[2-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]anilino]acetic acid?
2-[2-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]anilino]acetic acid has a molecular weight of 361.45 g/mol, XLogP of 1.08, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]anilino]acetic acid is sourced from PubChem (CID 67598581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).