(5S)-5-[4-[(4-cyclohexyltriazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one

C19H29N5O2 — CID 28786488

IUPAC(5S)-5-[4-[(4-cyclohexyltriazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CC[C@@H](C(=O)N2CCC(Cn3cc(C4CCCCC4)nn3)CC2)N1
InChIInChI=1S/C19H29N5O2/c25-18-7-6-16(20-18)19(26)23-10-8-14(9-11-23)12-24-13-17(21-22-24)15-4-2-1-3-5-15/h13-16H,1-12H2,(H,20,25)/t16-/m0/s1
InChIKeySVDKPNZMFQVSBS-INIZCTEOSA-N
MW359.47 g/mol
LogP1.84
Rot. Bonds4

About (5S)-5-[4-[(4-cyclohexyltriazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one

(5S)-5-[4-[(4-cyclohexyltriazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 28786488) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is (5S)-5-[4-[(4-cyclohexyltriazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[4-[(4-cyclohexyltriazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID28786488
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name(5S)-5-[4-[(4-cyclohexyltriazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CC[C@@H](C(=O)N2CCC(Cn3cc(C4CCCCC4)nn3)CC2)N1
InChIInChI=1S/C19H29N5O2/c25-18-7-6-16(20-18)19(26)23-10-8-14(9-11-23)12-24-13-17(21-22-24)15-4-2-1-3-5-15/h13-16H,1-12H2,(H,20,25)/t16-/m0/s1
InChIKeySVDKPNZMFQVSBS-INIZCTEOSA-N
XLogP1.84
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[4-[(4-cyclohexyltriazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[4-[(4-cyclohexyltriazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one (CID 28786488) is (5S)-5-[4-[(4-cyclohexyltriazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[4-[(4-cyclohexyltriazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[4-[(4-cyclohexyltriazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one is O=C1CC[C@@H](C(=O)N2CCC(Cn3cc(C4CCCCC4)nn3)CC2)N1.
What is the InChIKey of (5S)-5-[4-[(4-cyclohexyltriazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is SVDKPNZMFQVSBS-INIZCTEOSA-N. The full InChI is InChI=1S/C19H29N5O2/c25-18-7-6-16(20-18)19(26)23-10-8-14(9-11-23)12-24-13-17(21-22-24)15-4-2-1-3-5-15/h13-16H,1-12H2,(H,20,25)/t16-/m0/s1.
What are the key properties of (5S)-5-[4-[(4-cyclohexyltriazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one?
(5S)-5-[4-[(4-cyclohexyltriazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 359.47 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[4-[(4-cyclohexyltriazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 28786488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).