(5S)-5-[[4-(2-piperidin-1-ylethyl)triazol-1-yl]methyl]pyrrolidin-2-one

C14H23N5O — CID 167964801

IUPAC(5S)-5-[[4-(2-piperidin-1-ylethyl)triazol-1-yl]methyl]pyrrolidin-2-one
SMILESO=C1CC[C@@H](Cn2cc(CCN3CCCCC3)nn2)N1
InChIInChI=1S/C14H23N5O/c20-14-5-4-12(15-14)10-19-11-13(16-17-19)6-9-18-7-2-1-3-8-18/h11-12H,1-10H2,(H,15,20)/t12-/m0/s1
InChIKeyKMVZNVRHGHQXAT-LBPRGKRZSA-N
MW277.37 g/mol
LogP0.59
Rot. Bonds5

About (5S)-5-[[4-(2-piperidin-1-ylethyl)triazol-1-yl]methyl]pyrrolidin-2-one

(5S)-5-[[4-(2-piperidin-1-ylethyl)triazol-1-yl]methyl]pyrrolidin-2-one (PubChem CID 167964801) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is (5S)-5-[[4-(2-piperidin-1-ylethyl)triazol-1-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[[4-(2-piperidin-1-ylethyl)triazol-1-yl]methyl]pyrrolidin-2-one
PubChem CID167964801
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name(5S)-5-[[4-(2-piperidin-1-ylethyl)triazol-1-yl]methyl]pyrrolidin-2-one
SMILESO=C1CC[C@@H](Cn2cc(CCN3CCCCC3)nn2)N1
InChIInChI=1S/C14H23N5O/c20-14-5-4-12(15-14)10-19-11-13(16-17-19)6-9-18-7-2-1-3-8-18/h11-12H,1-10H2,(H,15,20)/t12-/m0/s1
InChIKeyKMVZNVRHGHQXAT-LBPRGKRZSA-N
XLogP0.59
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[4-[(cyclopropylamino)methyl]triazol-1-yl]methyl]pyrrolidin-2-one
CID 107530867
5-[[4-[(cyclopropylmethylamino)methyl]triazol-1-yl]methyl]pyrrolidin-2-one
CID 107530817
5-[[4-[(2-methylpropylamino)methyl]triazol-1-yl]methyl]pyrrolidin-2-one
CID 107530869
[1-[2-(azepan-1-yl)ethyl]triazol-4-yl]methanol
CID 78357904
(5R)-5-[(4-bromopyrazol-1-yl)methyl]pyrrolidin-2-one
CID 138553889
1-[[1-[2-(azepan-1-yl)ethyl]triazol-4-yl]methyl]pyridin-2-one
CID 154787634
4-(chloromethyl)-1-(2-pyrrolidin-1-ylethyl)triazole
CID 62399864
1-[2-[1-[2-(4-chlorophenyl)ethyl]triazol-4-yl]ethyl]piperidin-4-amine
CID 166251328
1-[(5-oxopyrrolidin-2-yl)methyl]piperidine-4-carbaldehyde
CID 107530842
2-[4-[2-[4-(4-chlorophenyl)piperidin-1-yl]ethyl]triazol-1-yl]acetic acid
CID 136550482
2-[4-[[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]methyl]triazol-1-yl]acetic acid
CID 115458743
(5S)-5-[(4-methylpiperidin-1-yl)methyl]pyrrolidin-2-one
CID 67158038

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[4-(2-piperidin-1-ylethyl)triazol-1-yl]methyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[[4-(2-piperidin-1-ylethyl)triazol-1-yl]methyl]pyrrolidin-2-one (CID 167964801) is (5S)-5-[[4-(2-piperidin-1-ylethyl)triazol-1-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[[4-(2-piperidin-1-ylethyl)triazol-1-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[[4-(2-piperidin-1-ylethyl)triazol-1-yl]methyl]pyrrolidin-2-one is O=C1CC[C@@H](Cn2cc(CCN3CCCCC3)nn2)N1.
What is the InChIKey of (5S)-5-[[4-(2-piperidin-1-ylethyl)triazol-1-yl]methyl]pyrrolidin-2-one?
The InChIKey is KMVZNVRHGHQXAT-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H23N5O/c20-14-5-4-12(15-14)10-19-11-13(16-17-19)6-9-18-7-2-1-3-8-18/h11-12H,1-10H2,(H,15,20)/t12-/m0/s1.
What are the key properties of (5S)-5-[[4-(2-piperidin-1-ylethyl)triazol-1-yl]methyl]pyrrolidin-2-one?
(5S)-5-[[4-(2-piperidin-1-ylethyl)triazol-1-yl]methyl]pyrrolidin-2-one has a molecular weight of 277.37 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[4-(2-piperidin-1-ylethyl)triazol-1-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 167964801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).