2-[methyl-[4-[(4-pyridin-4-ylpiperazine-1-carbonyl)amino]cyclohexyl]amino]acetic acid

C19H29N5O3 — CID 21462786

IUPAC2-[methyl-[4-[(4-pyridin-4-ylpiperazine-1-carbonyl)amino]cyclohexyl]amino]acetic acid
SMILESCN(CC(=O)O)C1CCC(NC(=O)N2CCN(c3ccncc3)CC2)CC1
InChIInChI=1S/C19H29N5O3/c1-22(14-18(25)26)16-4-2-15(3-5-16)21-19(27)24-12-10-23(11-13-24)17-6-8-20-9-7-17/h6-9,15-16H,2-5,10-14H2,1H3,(H,21,27)(H,25,26)
InChIKeyQAFLWIPMDYWKPT-UHFFFAOYSA-N
MW375.47 g/mol
LogP1.24
Rot. Bonds5

About 2-[methyl-[4-[(4-pyridin-4-ylpiperazine-1-carbonyl)amino]cyclohexyl]amino]acetic acid

2-[methyl-[4-[(4-pyridin-4-ylpiperazine-1-carbonyl)amino]cyclohexyl]amino]acetic acid (PubChem CID 21462786) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-[methyl-[4-[(4-pyridin-4-ylpiperazine-1-carbonyl)amino]cyclohexyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[4-[(4-pyridin-4-ylpiperazine-1-carbonyl)amino]cyclohexyl]amino]acetic acid
PubChem CID21462786
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Name2-[methyl-[4-[(4-pyridin-4-ylpiperazine-1-carbonyl)amino]cyclohexyl]amino]acetic acid
SMILESCN(CC(=O)O)C1CCC(NC(=O)N2CCN(c3ccncc3)CC2)CC1
InChIInChI=1S/C19H29N5O3/c1-22(14-18(25)26)16-4-2-15(3-5-16)21-19(27)24-12-10-23(11-13-24)17-6-8-20-9-7-17/h6-9,15-16H,2-5,10-14H2,1H3,(H,21,27)(H,25,26)
InChIKeyQAFLWIPMDYWKPT-UHFFFAOYSA-N
XLogP1.24
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[methyl-[4-[(4-pyridin-4-ylpiperazine-1-carbonyl)amino]cyclohexyl]amino]acetic acid with MolForge

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Related Compounds

methyl 2-[4-[(4-pyridin-4-ylpiperazine-1-carbonyl)amino]cyclohexyl]oxyacetate
CID 139699368
N-cyclohexyl-4-phenylpiperazine-1-carboxamide
CID 858165
2-methylpropyl 2-[4-[(4-pyridin-4-ylpiperazine-1-carbonyl)amino]piperidin-1-yl]acetate;dihydrochloride
CID 139699363
N-cyclopropyl-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 47127339
2-[[1-[(4,4-dimethylcyclohexyl)carbamoyl]azepan-4-yl]-methylamino]acetic acid
CID 122003478
N-propyl-4-pyridin-4-ylpiperazine-1-carboxamide
CID 47117590
N-cyclohexyl-4-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 4169539
N-cyclopropyl-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113075647
2-[methyl-[1-(spiro[5.5]undecan-3-ylcarbamoyl)azepan-4-yl]amino]acetic acid
CID 122011340
methyl 4-[4-(cyclopentylcarbamoyl)piperazin-1-yl]benzoate
CID 113104537
N-(1-ethylpyrrolidin-3-yl)-4-phenylpiperazine-1-carboxamide
CID 15636958
3-[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-1-yl]amino]propanoic acid
CID 21462701

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[4-[(4-pyridin-4-ylpiperazine-1-carbonyl)amino]cyclohexyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[4-[(4-pyridin-4-ylpiperazine-1-carbonyl)amino]cyclohexyl]amino]acetic acid (CID 21462786) is 2-[methyl-[4-[(4-pyridin-4-ylpiperazine-1-carbonyl)amino]cyclohexyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[4-[(4-pyridin-4-ylpiperazine-1-carbonyl)amino]cyclohexyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[4-[(4-pyridin-4-ylpiperazine-1-carbonyl)amino]cyclohexyl]amino]acetic acid is CN(CC(=O)O)C1CCC(NC(=O)N2CCN(c3ccncc3)CC2)CC1.
What is the InChIKey of 2-[methyl-[4-[(4-pyridin-4-ylpiperazine-1-carbonyl)amino]cyclohexyl]amino]acetic acid?
The InChIKey is QAFLWIPMDYWKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-22(14-18(25)26)16-4-2-15(3-5-16)21-19(27)24-12-10-23(11-13-24)17-6-8-20-9-7-17/h6-9,15-16H,2-5,10-14H2,1H3,(H,21,27)(H,25,26).
What are the key properties of 2-[methyl-[4-[(4-pyridin-4-ylpiperazine-1-carbonyl)amino]cyclohexyl]amino]acetic acid?
2-[methyl-[4-[(4-pyridin-4-ylpiperazine-1-carbonyl)amino]cyclohexyl]amino]acetic acid has a molecular weight of 375.47 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[4-[(4-pyridin-4-ylpiperazine-1-carbonyl)amino]cyclohexyl]amino]acetic acid is sourced from PubChem (CID 21462786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).