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

C23H34N4O4 — CID 139782807

IUPAC2-cyclopentyl-2-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]phenoxy]acetic acid
SMILESO=C(O)C(Oc1ccc(NC(=O)N2CCN(C3CCNCC3)CC2)cc1)C1CCCC1
InChIInChI=1S/C23H34N4O4/c28-22(29)21(17-3-1-2-4-17)31-20-7-5-18(6-8-20)25-23(30)27-15-13-26(14-16-27)19-9-11-24-12-10-19/h5-8,17,19,21,24H,1-4,9-16H2,(H,25,30)(H,28,29)
InChIKeyDMEHDLNHDDXMHQ-UHFFFAOYSA-N
MW430.55 g/mol
LogP2.61
Rot. Bonds6

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

2-cyclopentyl-2-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]phenoxy]acetic acid (PubChem CID 139782807) has the molecular formula C23H34N4O4 and a molecular weight of 430.55 g/mol. Its IUPAC name is 2-cyclopentyl-2-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-cyclopentyl-2-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]phenoxy]acetic acid
PubChem CID139782807
Molecular FormulaC23H34N4O4
Molecular Weight430.55 g/mol
Exact Mass430.26
IUPAC Name2-cyclopentyl-2-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]phenoxy]acetic acid
SMILESO=C(O)C(Oc1ccc(NC(=O)N2CCN(C3CCNCC3)CC2)cc1)C1CCCC1
InChIInChI=1S/C23H34N4O4/c28-22(29)21(17-3-1-2-4-17)31-20-7-5-18(6-8-20)25-23(30)27-15-13-26(14-16-27)19-9-11-24-12-10-19/h5-8,17,19,21,24H,1-4,9-16H2,(H,25,30)(H,28,29)
InChIKeyDMEHDLNHDDXMHQ-UHFFFAOYSA-N
XLogP2.61
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-cyclopentyl-2-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]phenoxy]acetic acid with MolForge

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Related Compounds

methyl 2-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]anilino]acetate
CID 67762871
4-cyclopropyl-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 47455403
ethyl 3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]phenoxy]propanoate
CID 57309222
N-(4-aminophenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 62369641
N-(4-bromophenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 17185073
N-(4-acetamidophenyl)-4-cyclopropylpiperazine-1-carboxamide
CID 113103473
N-(4-pyridin-3-yloxyphenyl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide
CID 74251036
methyl 4-[(4-cyclohexylpiperazine-1-carbonyl)amino]benzoate
CID 113104639
4-cyclopropyl-N-(4-methylphenyl)piperazine-1-carboxamide
CID 47455397
4-cyclopentyl-N-(3,5-dimethoxyphenyl)piperazine-1-carboxamide
CID 86986929
N-[4-(difluoromethoxy)phenyl]pyrrolidine-1-carboxamide
CID 47162409
2-[2-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]anilino]acetic acid
CID 67598581

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]phenoxy]acetic acid?
The IUPAC name of 2-cyclopentyl-2-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]phenoxy]acetic acid (CID 139782807) is 2-cyclopentyl-2-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]phenoxy]acetic acid.
What is the SMILES notation for 2-cyclopentyl-2-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]phenoxy]acetic acid?
The canonical SMILES for 2-cyclopentyl-2-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]phenoxy]acetic acid is O=C(O)C(Oc1ccc(NC(=O)N2CCN(C3CCNCC3)CC2)cc1)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]phenoxy]acetic acid?
The InChIKey is DMEHDLNHDDXMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O4/c28-22(29)21(17-3-1-2-4-17)31-20-7-5-18(6-8-20)25-23(30)27-15-13-26(14-16-27)19-9-11-24-12-10-19/h5-8,17,19,21,24H,1-4,9-16H2,(H,25,30)(H,28,29).
What are the key properties of 2-cyclopentyl-2-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]phenoxy]acetic acid?
2-cyclopentyl-2-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]phenoxy]acetic acid has a molecular weight of 430.55 g/mol, XLogP of 2.61, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]phenoxy]acetic acid is sourced from PubChem (CID 139782807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).