[4-[2-chloro-4-(2-phenylpropan-2-ylamino)phenyl]piperazin-1-yl]-(3-methoxy-2-pyridinyl)methanone

C26H29ClN4O2 — CID 56659929

IUPAC[4-[2-chloro-4-(2-phenylpropan-2-ylamino)phenyl]piperazin-1-yl]-(3-methoxy-2-pyridinyl)methanone
SMILESCOc1cccnc1C(=O)N1CCN(c2ccc(NC(C)(C)c3ccccc3)cc2Cl)CC1
InChIInChI=1S/C26H29ClN4O2/c1-26(2,19-8-5-4-6-9-19)29-20-11-12-22(21(27)18-20)30-14-16-31(17-15-30)25(32)24-23(33-3)10-7-13-28-24/h4-13,18,29H,14-17H2,1-3H3
InChIKeyFDJKLSHAFVLWTC-UHFFFAOYSA-N
MW465.00 g/mol
LogP5.05
Rot. Bonds6

About [4-[2-chloro-4-(2-phenylpropan-2-ylamino)phenyl]piperazin-1-yl]-(3-methoxy-2-pyridinyl)methanone

[4-[2-chloro-4-(2-phenylpropan-2-ylamino)phenyl]piperazin-1-yl]-(3-methoxy-2-pyridinyl)methanone (PubChem CID 56659929) has the molecular formula C26H29ClN4O2 and a molecular weight of 465.00 g/mol. Its IUPAC name is [4-[2-chloro-4-(2-phenylpropan-2-ylamino)phenyl]piperazin-1-yl]-(3-methoxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name[4-[2-chloro-4-(2-phenylpropan-2-ylamino)phenyl]piperazin-1-yl]-(3-methoxy-2-pyridinyl)methanone
PubChem CID56659929
Molecular FormulaC26H29ClN4O2
Molecular Weight465.00 g/mol
Exact Mass464.20
IUPAC Name[4-[2-chloro-4-(2-phenylpropan-2-ylamino)phenyl]piperazin-1-yl]-(3-methoxy-2-pyridinyl)methanone
SMILESCOc1cccnc1C(=O)N1CCN(c2ccc(NC(C)(C)c3ccccc3)cc2Cl)CC1
InChIInChI=1S/C26H29ClN4O2/c1-26(2,19-8-5-4-6-9-19)29-20-11-12-22(21(27)18-20)30-14-16-31(17-15-30)25(32)24-23(33-3)10-7-13-28-24/h4-13,18,29H,14-17H2,1-3H3
InChIKeyFDJKLSHAFVLWTC-UHFFFAOYSA-N
XLogP5.05
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.00
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [4-[2-chloro-4-(2-phenylpropan-2-ylamino)phenyl]piperazin-1-yl]-(3-methoxy-2-pyridinyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-chloro-4-[4-(3-methoxypyridine-2-carbonyl)piperazin-1-yl]phenyl]-2-methyl-2-phenylpropanamide;hydrochloride
CID 44249748
Y2 Antagonist 36
CID 44249749
4-chloro-N-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]benzamide
CID 91800637
N-[3-[(4S,6S)-2-amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-chloro-3-methoxypyridine-2-carboxamide
CID 78321764
N-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-5-chloro-3-methoxypyridine-2-carboxamide
CID 90372990
N-[2-(5-chloro-2-methoxy-anilino)-2-keto-ethyl]-N-methyl-2-(4-pyridyl)cinchoninamide
CID 16256008
N-[3-chloro-4-[(2-methoxybenzoyl)amino]phenyl]pyridine-2-carboxamide
CID 51003330
(3-Chlorophenyl)-[4-[4-(5-methoxy-2-pyridyl)phenyl]piperazin-1-yl]methanone
CID 137646212
N-[3-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-5-chloro-3-methoxypyridine-2-carboxamide
CID 90372993
N-[3-[(4S,6S)-2-amino-4,6-bis(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-chloro-3-methoxypyridine-2-carboxamide
CID 90373137
N-[3-[(4S,6S)-2-amino-6-(fluoromethyl)-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazin-6-yl]-4-fluorophenyl]-5-chloro-3-methoxypyridine-2-carboxamide
CID 90375871
N-[3-[2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-5-chloro-3-methoxypyridine-2-carboxamide
CID 123181811

Frequently Asked Questions

What is the IUPAC name of [4-[2-chloro-4-(2-phenylpropan-2-ylamino)phenyl]piperazin-1-yl]-(3-methoxy-2-pyridinyl)methanone?
The IUPAC name of [4-[2-chloro-4-(2-phenylpropan-2-ylamino)phenyl]piperazin-1-yl]-(3-methoxy-2-pyridinyl)methanone (CID 56659929) is [4-[2-chloro-4-(2-phenylpropan-2-ylamino)phenyl]piperazin-1-yl]-(3-methoxy-2-pyridinyl)methanone.
What is the SMILES notation for [4-[2-chloro-4-(2-phenylpropan-2-ylamino)phenyl]piperazin-1-yl]-(3-methoxy-2-pyridinyl)methanone?
The canonical SMILES for [4-[2-chloro-4-(2-phenylpropan-2-ylamino)phenyl]piperazin-1-yl]-(3-methoxy-2-pyridinyl)methanone is COc1cccnc1C(=O)N1CCN(c2ccc(NC(C)(C)c3ccccc3)cc2Cl)CC1.
What is the InChIKey of [4-[2-chloro-4-(2-phenylpropan-2-ylamino)phenyl]piperazin-1-yl]-(3-methoxy-2-pyridinyl)methanone?
The InChIKey is FDJKLSHAFVLWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN4O2/c1-26(2,19-8-5-4-6-9-19)29-20-11-12-22(21(27)18-20)30-14-16-31(17-15-30)25(32)24-23(33-3)10-7-13-28-24/h4-13,18,29H,14-17H2,1-3H3.
What are the key properties of [4-[2-chloro-4-(2-phenylpropan-2-ylamino)phenyl]piperazin-1-yl]-(3-methoxy-2-pyridinyl)methanone?
[4-[2-chloro-4-(2-phenylpropan-2-ylamino)phenyl]piperazin-1-yl]-(3-methoxy-2-pyridinyl)methanone has a molecular weight of 465.00 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-chloro-4-(2-phenylpropan-2-ylamino)phenyl]piperazin-1-yl]-(3-methoxy-2-pyridinyl)methanone is sourced from PubChem (CID 56659929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).