1-cyclopentyl-5-(2,6-dimethoxyphenyl)-N-[(3S)-1-(1,3-oxazol-2-ylmethylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]pyrazole-3-carboxamide

C31H42N6O5 — CID 129226755

IUPAC1-cyclopentyl-5-(2,6-dimethoxyphenyl)-N-[(3S)-1-(1,3-oxazol-2-ylmethylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]pyrazole-3-carboxamide
SMILESCOc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCN2CCCCC2)CC(=O)NCc2ncco2)nn1C1CCCC1
InChIInChI=1S/C31H42N6O5/c1-40-26-11-8-12-27(41-2)30(26)25-20-24(35-37(25)23-9-4-5-10-23)31(39)34-22(13-17-36-15-6-3-7-16-36)19-28(38)33-21-29-32-14-18-42-29/h8,11-12,14,18,20,22-23H,3-7,9-10,13,15-17,19,21H2,1-2H3,(H,33,38)(H,34,39)/t22-/m0/s1
InChIKeyRWIJUYOOMDLGIL-QFIPXVFZSA-N
MW578.71 g/mol
LogP4.35
Rot. Bonds13

About 1-cyclopentyl-5-(2,6-dimethoxyphenyl)-N-[(3S)-1-(1,3-oxazol-2-ylmethylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]pyrazole-3-carboxamide

1-cyclopentyl-5-(2,6-dimethoxyphenyl)-N-[(3S)-1-(1,3-oxazol-2-ylmethylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]pyrazole-3-carboxamide (PubChem CID 129226755) has the molecular formula C31H42N6O5 and a molecular weight of 578.71 g/mol. Its IUPAC name is 1-cyclopentyl-5-(2,6-dimethoxyphenyl)-N-[(3S)-1-(1,3-oxazol-2-ylmethylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-5-(2,6-dimethoxyphenyl)-N-[(3S)-1-(1,3-oxazol-2-ylmethylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]pyrazole-3-carboxamide
PubChem CID129226755
Molecular FormulaC31H42N6O5
Molecular Weight578.71 g/mol
Exact Mass578.32
IUPAC Name1-cyclopentyl-5-(2,6-dimethoxyphenyl)-N-[(3S)-1-(1,3-oxazol-2-ylmethylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]pyrazole-3-carboxamide
SMILESCOc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCN2CCCCC2)CC(=O)NCc2ncco2)nn1C1CCCC1
InChIInChI=1S/C31H42N6O5/c1-40-26-11-8-12-27(41-2)30(26)25-20-24(35-37(25)23-9-4-5-10-23)31(39)34-22(13-17-36-15-6-3-7-16-36)19-28(38)33-21-29-32-14-18-42-29/h8,11-12,14,18,20,22-23H,3-7,9-10,13,15-17,19,21H2,1-2H3,(H,33,38)(H,34,39)/t22-/m0/s1
InChIKeyRWIJUYOOMDLGIL-QFIPXVFZSA-N
XLogP4.35
TPSA123.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.71
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-(2,6-dimethoxyphenyl)-N-[(3S)-1-(1,3-oxazol-2-ylmethylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-cyclopentyl-5-(2,6-dimethoxyphenyl)-N-[(3S)-1-(1,3-oxazol-2-ylmethylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]pyrazole-3-carboxamide (CID 129226755) is 1-cyclopentyl-5-(2,6-dimethoxyphenyl)-N-[(3S)-1-(1,3-oxazol-2-ylmethylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-5-(2,6-dimethoxyphenyl)-N-[(3S)-1-(1,3-oxazol-2-ylmethylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-5-(2,6-dimethoxyphenyl)-N-[(3S)-1-(1,3-oxazol-2-ylmethylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]pyrazole-3-carboxamide is COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCN2CCCCC2)CC(=O)NCc2ncco2)nn1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-5-(2,6-dimethoxyphenyl)-N-[(3S)-1-(1,3-oxazol-2-ylmethylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]pyrazole-3-carboxamide?
The InChIKey is RWIJUYOOMDLGIL-QFIPXVFZSA-N. The full InChI is InChI=1S/C31H42N6O5/c1-40-26-11-8-12-27(41-2)30(26)25-20-24(35-37(25)23-9-4-5-10-23)31(39)34-22(13-17-36-15-6-3-7-16-36)19-28(38)33-21-29-32-14-18-42-29/h8,11-12,14,18,20,22-23H,3-7,9-10,13,15-17,19,21H2,1-2H3,(H,33,38)(H,34,39)/t22-/m0/s1.
What are the key properties of 1-cyclopentyl-5-(2,6-dimethoxyphenyl)-N-[(3S)-1-(1,3-oxazol-2-ylmethylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]pyrazole-3-carboxamide?
1-cyclopentyl-5-(2,6-dimethoxyphenyl)-N-[(3S)-1-(1,3-oxazol-2-ylmethylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]pyrazole-3-carboxamide has a molecular weight of 578.71 g/mol, XLogP of 4.35, 13 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-(2,6-dimethoxyphenyl)-N-[(3S)-1-(1,3-oxazol-2-ylmethylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 129226755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).