N-[4-[4-[2-amino-2-(2-chlorophenyl)acetyl]piperazin-1-yl]phenyl]-2-(4-methoxyphenyl)acetamide

C27H29ClN4O3 — CID 58258441

IUPACN-[4-[4-[2-amino-2-(2-chlorophenyl)acetyl]piperazin-1-yl]phenyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(N3CCN(C(=O)C(N)c4ccccc4Cl)CC3)cc2)cc1
InChIInChI=1S/C27H29ClN4O3/c1-35-22-12-6-19(7-13-22)18-25(33)30-20-8-10-21(11-9-20)31-14-16-32(17-15-31)27(34)26(29)23-4-2-3-5-24(23)28/h2-13,26H,14-18,29H2,1H3,(H,30,33)
InChIKeyYPSUKFXIKVZWQK-UHFFFAOYSA-N
MW493.01 g/mol
LogP3.88
Rot. Bonds7

About N-[4-[4-[2-amino-2-(2-chlorophenyl)acetyl]piperazin-1-yl]phenyl]-2-(4-methoxyphenyl)acetamide

N-[4-[4-[2-amino-2-(2-chlorophenyl)acetyl]piperazin-1-yl]phenyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 58258441) has the molecular formula C27H29ClN4O3 and a molecular weight of 493.01 g/mol. Its IUPAC name is N-[4-[4-[2-amino-2-(2-chlorophenyl)acetyl]piperazin-1-yl]phenyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[4-[2-amino-2-(2-chlorophenyl)acetyl]piperazin-1-yl]phenyl]-2-(4-methoxyphenyl)acetamide
PubChem CID58258441
Molecular FormulaC27H29ClN4O3
Molecular Weight493.01 g/mol
Exact Mass492.19
IUPAC NameN-[4-[4-[2-amino-2-(2-chlorophenyl)acetyl]piperazin-1-yl]phenyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(N3CCN(C(=O)C(N)c4ccccc4Cl)CC3)cc2)cc1
InChIInChI=1S/C27H29ClN4O3/c1-35-22-12-6-19(7-13-22)18-25(33)30-20-8-10-21(11-9-20)31-14-16-32(17-15-31)27(34)26(29)23-4-2-3-5-24(23)28/h2-13,26H,14-18,29H2,1H3,(H,30,33)
InChIKeyYPSUKFXIKVZWQK-UHFFFAOYSA-N
XLogP3.88
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.01
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

benzyl 4-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]piperazine-1-carboxylate
CID 59419487
(2,6-dichloro-3-methylphenyl) 4-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]piperazine-1-carboxylate
CID 89219554
N-[4-[4-[2-[2-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]acetyl]piperazin-1-yl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 44548711
N-[4-[4-[2-(2-chlorophenyl)ethylamino]piperidin-1-yl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 42167607
2-chloro-N-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]-2-phenylacetamide
CID 42768636
ethyl 4-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]anilino]-4-oxobutanoate
CID 42768638
2-(4-methoxyphenyl)-N-[4-[4-(4-methoxyquinoline-2-carbonyl)piperazin-1-yl]phenyl]acetamide
CID 42768607
N-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]pentanamide
CID 4558492
N-[4-[4-[N'-[2,6-dichloro-4-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]carbamimidoyl]piperazin-1-yl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 89128063
(2S)-2-amino-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 22689945
N-[4-[4-[2-hydroxy-2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]-4-phenylbutanamide
CID 58258535
N-(4-ethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 44902445

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-amino-2-(2-chlorophenyl)acetyl]piperazin-1-yl]phenyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[4-[4-[2-amino-2-(2-chlorophenyl)acetyl]piperazin-1-yl]phenyl]-2-(4-methoxyphenyl)acetamide (CID 58258441) is N-[4-[4-[2-amino-2-(2-chlorophenyl)acetyl]piperazin-1-yl]phenyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[4-[4-[2-amino-2-(2-chlorophenyl)acetyl]piperazin-1-yl]phenyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[4-[4-[2-amino-2-(2-chlorophenyl)acetyl]piperazin-1-yl]phenyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2ccc(N3CCN(C(=O)C(N)c4ccccc4Cl)CC3)cc2)cc1.
What is the InChIKey of N-[4-[4-[2-amino-2-(2-chlorophenyl)acetyl]piperazin-1-yl]phenyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is YPSUKFXIKVZWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN4O3/c1-35-22-12-6-19(7-13-22)18-25(33)30-20-8-10-21(11-9-20)31-14-16-32(17-15-31)27(34)26(29)23-4-2-3-5-24(23)28/h2-13,26H,14-18,29H2,1H3,(H,30,33).
What are the key properties of N-[4-[4-[2-amino-2-(2-chlorophenyl)acetyl]piperazin-1-yl]phenyl]-2-(4-methoxyphenyl)acetamide?
N-[4-[4-[2-amino-2-(2-chlorophenyl)acetyl]piperazin-1-yl]phenyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 493.01 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[2-amino-2-(2-chlorophenyl)acetyl]piperazin-1-yl]phenyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 58258441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).