1-[(2S)-2-[[4-(difluoromethoxy)phenyl]carbamoylamino]-3-phenylpropanoyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide

C30H32F2N4O5 — CID 46705047

IUPAC1-[(2S)-2-[[4-(difluoromethoxy)phenyl]carbamoylamino]-3-phenylpropanoyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)Nc3ccc(OC(F)F)cc3)CC2)cc1
InChIInChI=1S/C30H32F2N4O5/c1-40-24-11-7-22(8-12-24)33-27(37)21-15-17-36(18-16-21)28(38)26(19-20-5-3-2-4-6-20)35-30(39)34-23-9-13-25(14-10-23)41-29(31)32/h2-14,21,26,29H,15-19H2,1H3,(H,33,37)(H2,34,35,39)/t26-/m0/s1
InChIKeyYNDNTRJURYMFEU-SANMLTNESA-N
MW566.61 g/mol
LogP4.91
Rot. Bonds10

About 1-[(2S)-2-[[4-(difluoromethoxy)phenyl]carbamoylamino]-3-phenylpropanoyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide

1-[(2S)-2-[[4-(difluoromethoxy)phenyl]carbamoylamino]-3-phenylpropanoyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide (PubChem CID 46705047) has the molecular formula C30H32F2N4O5 and a molecular weight of 566.61 g/mol. Its IUPAC name is 1-[(2S)-2-[[4-(difluoromethoxy)phenyl]carbamoylamino]-3-phenylpropanoyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2S)-2-[[4-(difluoromethoxy)phenyl]carbamoylamino]-3-phenylpropanoyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
PubChem CID46705047
Molecular FormulaC30H32F2N4O5
Molecular Weight566.61 g/mol
Exact Mass566.23
IUPAC Name1-[(2S)-2-[[4-(difluoromethoxy)phenyl]carbamoylamino]-3-phenylpropanoyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)Nc3ccc(OC(F)F)cc3)CC2)cc1
InChIInChI=1S/C30H32F2N4O5/c1-40-24-11-7-22(8-12-24)33-27(37)21-15-17-36(18-16-21)28(38)26(19-20-5-3-2-4-6-20)35-30(39)34-23-9-13-25(14-10-23)41-29(31)32/h2-14,21,26,29H,15-19H2,1H3,(H,33,37)(H2,34,35,39)/t26-/m0/s1
InChIKeyYNDNTRJURYMFEU-SANMLTNESA-N
XLogP4.91
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.61
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Bms-986235
CID 122583088
Meppep
CID 25107855
1-Benzyl-3-(4-methoxyphenylamino)-4-phenylpyrrole-2,5-dione
CID 5288679
Succinamide peptidomimetic, 12
CID 11156785
Succinamide peptidomimetic, 26
CID 11168385
Succinamide peptidomimetic, 27
CID 11168613
Succinamide peptidomimetic, 32
CID 11180007
Succinamide peptidomimetic, 19
CID 11191512
Succinamide peptidomimetic, 34
CID 11203484
Succinamide peptidomimetic, 9
CID 11225780
Succinamide peptidomimetic, 22
CID 11250282
Succinamide peptidomimetic, 14
CID 11261516

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[[4-(difluoromethoxy)phenyl]carbamoylamino]-3-phenylpropanoyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(2S)-2-[[4-(difluoromethoxy)phenyl]carbamoylamino]-3-phenylpropanoyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide (CID 46705047) is 1-[(2S)-2-[[4-(difluoromethoxy)phenyl]carbamoylamino]-3-phenylpropanoyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2S)-2-[[4-(difluoromethoxy)phenyl]carbamoylamino]-3-phenylpropanoyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(2S)-2-[[4-(difluoromethoxy)phenyl]carbamoylamino]-3-phenylpropanoyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide is COc1ccc(NC(=O)C2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)Nc3ccc(OC(F)F)cc3)CC2)cc1.
What is the InChIKey of 1-[(2S)-2-[[4-(difluoromethoxy)phenyl]carbamoylamino]-3-phenylpropanoyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide?
The InChIKey is YNDNTRJURYMFEU-SANMLTNESA-N. The full InChI is InChI=1S/C30H32F2N4O5/c1-40-24-11-7-22(8-12-24)33-27(37)21-15-17-36(18-16-21)28(38)26(19-20-5-3-2-4-6-20)35-30(39)34-23-9-13-25(14-10-23)41-29(31)32/h2-14,21,26,29H,15-19H2,1H3,(H,33,37)(H2,34,35,39)/t26-/m0/s1.
What are the key properties of 1-[(2S)-2-[[4-(difluoromethoxy)phenyl]carbamoylamino]-3-phenylpropanoyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide?
1-[(2S)-2-[[4-(difluoromethoxy)phenyl]carbamoylamino]-3-phenylpropanoyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide has a molecular weight of 566.61 g/mol, XLogP of 4.91, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[[4-(difluoromethoxy)phenyl]carbamoylamino]-3-phenylpropanoyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 46705047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).