(3S)-1-[2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)acetyl]piperidine-3-carboxamide

C16H24N4O2 — CID 172675111

IUPAC(3S)-1-[2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)acetyl]piperidine-3-carboxamide
SMILESCc1nc2n(c1CC(=O)N1CCC[C@H](C(N)=O)C1)CCCC2
InChIInChI=1S/C16H24N4O2/c1-11-13(20-8-3-2-6-14(20)18-11)9-15(21)19-7-4-5-12(10-19)16(17)22/h12H,2-10H2,1H3,(H2,17,22)/t12-/m0/s1
InChIKeyFXTPOBAQIFAHIO-LBPRGKRZSA-N
MW304.39 g/mol
LogP0.79
Rot. Bonds3

About (3S)-1-[2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)acetyl]piperidine-3-carboxamide

(3S)-1-[2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)acetyl]piperidine-3-carboxamide (PubChem CID 172675111) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is (3S)-1-[2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)acetyl]piperidine-3-carboxamide
PubChem CID172675111
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name(3S)-1-[2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)acetyl]piperidine-3-carboxamide
SMILESCc1nc2n(c1CC(=O)N1CCC[C@H](C(N)=O)C1)CCCC2
InChIInChI=1S/C16H24N4O2/c1-11-13(20-8-3-2-6-14(20)18-11)9-15(21)19-7-4-5-12(10-19)16(17)22/h12H,2-10H2,1H3,(H2,17,22)/t12-/m0/s1
InChIKeyFXTPOBAQIFAHIO-LBPRGKRZSA-N
XLogP0.79
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)acetyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)acetyl]piperidine-3-carboxamide (CID 172675111) is (3S)-1-[2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)acetyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)acetyl]piperidine-3-carboxamide is Cc1nc2n(c1CC(=O)N1CCC[C@H](C(N)=O)C1)CCCC2.
What is the InChIKey of (3S)-1-[2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)acetyl]piperidine-3-carboxamide?
The InChIKey is FXTPOBAQIFAHIO-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-11-13(20-8-3-2-6-14(20)18-11)9-15(21)19-7-4-5-12(10-19)16(17)22/h12H,2-10H2,1H3,(H2,17,22)/t12-/m0/s1.
What are the key properties of (3S)-1-[2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)acetyl]piperidine-3-carboxamide?
(3S)-1-[2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)acetyl]piperidine-3-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 172675111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).