N-[4-[4-[3-(4-methyl-1,3-thiazol-5-yl)propylamino]piperidin-1-yl]phenyl]-5-phenylpentanamide

C29H38N4OS — CID 42468339

IUPACN-[4-[4-[3-(4-methyl-1,3-thiazol-5-yl)propylamino]piperidin-1-yl]phenyl]-5-phenylpentanamide
SMILESCc1ncsc1CCCNC1CCN(c2ccc(NC(=O)CCCCc3ccccc3)cc2)CC1
InChIInChI=1S/C29H38N4OS/c1-23-28(35-22-31-23)11-7-19-30-25-17-20-33(21-18-25)27-15-13-26(14-16-27)32-29(34)12-6-5-10-24-8-3-2-4-9-24/h2-4,8-9,13-16,22,25,30H,5-7,10-12,17-21H2,1H3,(H,32,34)
InChIKeyDWONVHOWJDXQSV-UHFFFAOYSA-N
MW490.72 g/mol
LogP5.99
Rot. Bonds12

About N-[4-[4-[3-(4-methyl-1,3-thiazol-5-yl)propylamino]piperidin-1-yl]phenyl]-5-phenylpentanamide

N-[4-[4-[3-(4-methyl-1,3-thiazol-5-yl)propylamino]piperidin-1-yl]phenyl]-5-phenylpentanamide (PubChem CID 42468339) has the molecular formula C29H38N4OS and a molecular weight of 490.72 g/mol. Its IUPAC name is N-[4-[4-[3-(4-methyl-1,3-thiazol-5-yl)propylamino]piperidin-1-yl]phenyl]-5-phenylpentanamide.

Molecular Properties

Compound NameN-[4-[4-[3-(4-methyl-1,3-thiazol-5-yl)propylamino]piperidin-1-yl]phenyl]-5-phenylpentanamide
PubChem CID42468339
Molecular FormulaC29H38N4OS
Molecular Weight490.72 g/mol
Exact Mass490.28
IUPAC NameN-[4-[4-[3-(4-methyl-1,3-thiazol-5-yl)propylamino]piperidin-1-yl]phenyl]-5-phenylpentanamide
SMILESCc1ncsc1CCCNC1CCN(c2ccc(NC(=O)CCCCc3ccccc3)cc2)CC1
InChIInChI=1S/C29H38N4OS/c1-23-28(35-22-31-23)11-7-19-30-25-17-20-33(21-18-25)27-15-13-26(14-16-27)32-29(34)12-6-5-10-24-8-3-2-4-9-24/h2-4,8-9,13-16,22,25,30H,5-7,10-12,17-21H2,1H3,(H,32,34)
InChIKeyDWONVHOWJDXQSV-UHFFFAOYSA-N
XLogP5.99
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.72
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 26402333
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CID 21260549
ethyl 4-[[1-[4-(3-phenylpropanoylamino)phenyl]piperidin-4-yl]amino]piperidine-1-carboxylate
CID 42425569
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3-phenylpropylamino)propanamide
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N-[4-[4-(benzylamino)piperidin-1-yl]phenyl]-2-phenoxyacetamide
CID 26339854
N-[4-[4-(2,3-dihydro-1H-inden-2-ylamino)piperidin-1-yl]phenyl]-3-phenylpropanamide
CID 26354265
N'-[4-(4-methylpiperidin-1-yl)phenyl]-N-(3-phenylpropyl)oxamide
CID 108986246
N-[4-[4-[2-(3-fluorophenyl)ethylamino]piperidin-1-yl]phenyl]-2-phenoxyacetamide
CID 42276922
3-(cyclopentylamino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 109013734
N-[4-[4-(1,4-dioxan-2-ylmethylamino)piperidin-1-yl]phenyl]-3-phenylpropanamide
CID 45177864
N-[3-[4-[(1-ethylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]-4-phenylbutanamide
CID 42441139

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[3-(4-methyl-1,3-thiazol-5-yl)propylamino]piperidin-1-yl]phenyl]-5-phenylpentanamide?
The IUPAC name of N-[4-[4-[3-(4-methyl-1,3-thiazol-5-yl)propylamino]piperidin-1-yl]phenyl]-5-phenylpentanamide (CID 42468339) is N-[4-[4-[3-(4-methyl-1,3-thiazol-5-yl)propylamino]piperidin-1-yl]phenyl]-5-phenylpentanamide.
What is the SMILES notation for N-[4-[4-[3-(4-methyl-1,3-thiazol-5-yl)propylamino]piperidin-1-yl]phenyl]-5-phenylpentanamide?
The canonical SMILES for N-[4-[4-[3-(4-methyl-1,3-thiazol-5-yl)propylamino]piperidin-1-yl]phenyl]-5-phenylpentanamide is Cc1ncsc1CCCNC1CCN(c2ccc(NC(=O)CCCCc3ccccc3)cc2)CC1.
What is the InChIKey of N-[4-[4-[3-(4-methyl-1,3-thiazol-5-yl)propylamino]piperidin-1-yl]phenyl]-5-phenylpentanamide?
The InChIKey is DWONVHOWJDXQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4OS/c1-23-28(35-22-31-23)11-7-19-30-25-17-20-33(21-18-25)27-15-13-26(14-16-27)32-29(34)12-6-5-10-24-8-3-2-4-9-24/h2-4,8-9,13-16,22,25,30H,5-7,10-12,17-21H2,1H3,(H,32,34).
What are the key properties of N-[4-[4-[3-(4-methyl-1,3-thiazol-5-yl)propylamino]piperidin-1-yl]phenyl]-5-phenylpentanamide?
N-[4-[4-[3-(4-methyl-1,3-thiazol-5-yl)propylamino]piperidin-1-yl]phenyl]-5-phenylpentanamide has a molecular weight of 490.72 g/mol, XLogP of 5.99, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[3-(4-methyl-1,3-thiazol-5-yl)propylamino]piperidin-1-yl]phenyl]-5-phenylpentanamide is sourced from PubChem (CID 42468339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).