(3R)-3-(cyclopentylmethyl)-N-hydroxy-4-piperidin-1-yl-2-(3,4,4-trimethyl-2-methylidene-5-oxoimidazolidin-1-yl)pent-4-enamide

C23H38N4O3 — CID 89240937

IUPAC(3R)-3-(cyclopentylmethyl)-N-hydroxy-4-piperidin-1-yl-2-(3,4,4-trimethyl-2-methylidene-5-oxoimidazolidin-1-yl)pent-4-enamide
SMILESC=C([C@H](CC1CCCC1)C(C(=O)NO)N1C(=C)N(C)C(C)(C)C1=O)N1CCCCC1
InChIInChI=1S/C23H38N4O3/c1-16(26-13-9-6-10-14-26)19(15-18-11-7-8-12-18)20(21(28)24-30)27-17(2)25(5)23(3,4)22(27)29/h18-20,30H,1-2,6-15H2,3-5H3,(H,24,28)/t19-,20?/m0/s1
InChIKeyVDFVORYRZGSMAY-XJDOXCRVSA-N
MW418.58 g/mol
LogP3.08
Rot. Bonds7

About (3R)-3-(cyclopentylmethyl)-N-hydroxy-4-piperidin-1-yl-2-(3,4,4-trimethyl-2-methylidene-5-oxoimidazolidin-1-yl)pent-4-enamide

(3R)-3-(cyclopentylmethyl)-N-hydroxy-4-piperidin-1-yl-2-(3,4,4-trimethyl-2-methylidene-5-oxoimidazolidin-1-yl)pent-4-enamide (PubChem CID 89240937) has the molecular formula C23H38N4O3 and a molecular weight of 418.58 g/mol. Its IUPAC name is (3R)-3-(cyclopentylmethyl)-N-hydroxy-4-piperidin-1-yl-2-(3,4,4-trimethyl-2-methylidene-5-oxoimidazolidin-1-yl)pent-4-enamide.

Molecular Properties

Compound Name(3R)-3-(cyclopentylmethyl)-N-hydroxy-4-piperidin-1-yl-2-(3,4,4-trimethyl-2-methylidene-5-oxoimidazolidin-1-yl)pent-4-enamide
PubChem CID89240937
Molecular FormulaC23H38N4O3
Molecular Weight418.58 g/mol
Exact Mass418.29
IUPAC Name(3R)-3-(cyclopentylmethyl)-N-hydroxy-4-piperidin-1-yl-2-(3,4,4-trimethyl-2-methylidene-5-oxoimidazolidin-1-yl)pent-4-enamide
SMILESC=C([C@H](CC1CCCC1)C(C(=O)NO)N1C(=C)N(C)C(C)(C)C1=O)N1CCCCC1
InChIInChI=1S/C23H38N4O3/c1-16(26-13-9-6-10-14-26)19(15-18-11-7-8-12-18)20(21(28)24-30)27-17(2)25(5)23(3,4)22(27)29/h18-20,30H,1-2,6-15H2,3-5H3,(H,24,28)/t19-,20?/m0/s1
InChIKeyVDFVORYRZGSMAY-XJDOXCRVSA-N
XLogP3.08
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.58
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(cyclopentylmethyl)-N-hydroxy-4-piperidin-1-yl-2-(3,4,4-trimethyl-2-methylidene-5-oxoimidazolidin-1-yl)pent-4-enamide?
The IUPAC name of (3R)-3-(cyclopentylmethyl)-N-hydroxy-4-piperidin-1-yl-2-(3,4,4-trimethyl-2-methylidene-5-oxoimidazolidin-1-yl)pent-4-enamide (CID 89240937) is (3R)-3-(cyclopentylmethyl)-N-hydroxy-4-piperidin-1-yl-2-(3,4,4-trimethyl-2-methylidene-5-oxoimidazolidin-1-yl)pent-4-enamide.
What is the SMILES notation for (3R)-3-(cyclopentylmethyl)-N-hydroxy-4-piperidin-1-yl-2-(3,4,4-trimethyl-2-methylidene-5-oxoimidazolidin-1-yl)pent-4-enamide?
The canonical SMILES for (3R)-3-(cyclopentylmethyl)-N-hydroxy-4-piperidin-1-yl-2-(3,4,4-trimethyl-2-methylidene-5-oxoimidazolidin-1-yl)pent-4-enamide is C=C([C@H](CC1CCCC1)C(C(=O)NO)N1C(=C)N(C)C(C)(C)C1=O)N1CCCCC1.
What is the InChIKey of (3R)-3-(cyclopentylmethyl)-N-hydroxy-4-piperidin-1-yl-2-(3,4,4-trimethyl-2-methylidene-5-oxoimidazolidin-1-yl)pent-4-enamide?
The InChIKey is VDFVORYRZGSMAY-XJDOXCRVSA-N. The full InChI is InChI=1S/C23H38N4O3/c1-16(26-13-9-6-10-14-26)19(15-18-11-7-8-12-18)20(21(28)24-30)27-17(2)25(5)23(3,4)22(27)29/h18-20,30H,1-2,6-15H2,3-5H3,(H,24,28)/t19-,20?/m0/s1.
What are the key properties of (3R)-3-(cyclopentylmethyl)-N-hydroxy-4-piperidin-1-yl-2-(3,4,4-trimethyl-2-methylidene-5-oxoimidazolidin-1-yl)pent-4-enamide?
(3R)-3-(cyclopentylmethyl)-N-hydroxy-4-piperidin-1-yl-2-(3,4,4-trimethyl-2-methylidene-5-oxoimidazolidin-1-yl)pent-4-enamide has a molecular weight of 418.58 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(cyclopentylmethyl)-N-hydroxy-4-piperidin-1-yl-2-(3,4,4-trimethyl-2-methylidene-5-oxoimidazolidin-1-yl)pent-4-enamide is sourced from PubChem (CID 89240937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).