methyl 2-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]anilino]acetate

C19H29N5O3 — CID 67762871

IUPACmethyl 2-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]anilino]acetate
SMILESCOC(=O)CNc1ccc(NC(=O)N2CCN(C3CCNCC3)CC2)cc1
InChIInChI=1S/C19H29N5O3/c1-27-18(25)14-21-15-2-4-16(5-3-15)22-19(26)24-12-10-23(11-13-24)17-6-8-20-9-7-17/h2-5,17,20-21H,6-14H2,1H3,(H,22,26)
InChIKeyOKLQANTYBFJULV-UHFFFAOYSA-N
MW375.47 g/mol
LogP1.17
Rot. Bonds5

About methyl 2-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]anilino]acetate

methyl 2-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]anilino]acetate (PubChem CID 67762871) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is methyl 2-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]anilino]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]anilino]acetate
PubChem CID67762871
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Namemethyl 2-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]anilino]acetate
SMILESCOC(=O)CNc1ccc(NC(=O)N2CCN(C3CCNCC3)CC2)cc1
InChIInChI=1S/C19H29N5O3/c1-27-18(25)14-21-15-2-4-16(5-3-15)22-19(26)24-12-10-23(11-13-24)17-6-8-20-9-7-17/h2-5,17,20-21H,6-14H2,1H3,(H,22,26)
InChIKeyOKLQANTYBFJULV-UHFFFAOYSA-N
XLogP1.17
TPSA85.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]phenoxy]propanoate
CID 57309222
4-cyclopropyl-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 47455403
N-(4-acetamidophenyl)-4-cyclopropylpiperazine-1-carboxamide
CID 113103473
4-cyclopropyl-N-(4-methylphenyl)piperazine-1-carboxamide
CID 47455397
2-cyclopentyl-2-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]phenoxy]acetic acid
CID 139782807
2-[2-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]anilino]acetic acid
CID 67598581
methyl 4-[(4-cyclohexylpiperazine-1-carbonyl)amino]benzoate
CID 113104639
N-(4-aminophenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 62369641
N-(4-bromophenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 17185073
N-(4-chlorophenyl)-4-(4-methoxypiperidin-1-yl)piperidine-1-carboxamide
CID 90616556
N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperazine-1-carboxamide
CID 95481288
N-(4-pyridin-3-yloxyphenyl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide
CID 74251036

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]anilino]acetate?
The IUPAC name of methyl 2-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]anilino]acetate (CID 67762871) is methyl 2-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]anilino]acetate.
What is the SMILES notation for methyl 2-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]anilino]acetate?
The canonical SMILES for methyl 2-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]anilino]acetate is COC(=O)CNc1ccc(NC(=O)N2CCN(C3CCNCC3)CC2)cc1.
What is the InChIKey of methyl 2-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]anilino]acetate?
The InChIKey is OKLQANTYBFJULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-27-18(25)14-21-15-2-4-16(5-3-15)22-19(26)24-12-10-23(11-13-24)17-6-8-20-9-7-17/h2-5,17,20-21H,6-14H2,1H3,(H,22,26).
What are the key properties of methyl 2-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]anilino]acetate?
methyl 2-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]anilino]acetate has a molecular weight of 375.47 g/mol, XLogP of 1.17, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]anilino]acetate is sourced from PubChem (CID 67762871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).