(3S)-4-[(5-methylfuran-2-yl)methyl]-3-[2-oxo-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one

C18H23N5O3 — CID 97433851

IUPAC(3S)-4-[(5-methylfuran-2-yl)methyl]-3-[2-oxo-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one
SMILESCc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCc3nc[nH]c3C2)o1
InChIInChI=1S/C18H23N5O3/c1-12-2-3-13(26-12)9-22-7-5-19-18(25)16(22)8-17(24)23-6-4-14-15(10-23)21-11-20-14/h2-3,11,16H,4-10H2,1H3,(H,19,25)(H,20,21)/t16-/m0/s1
InChIKeyDERMKABOOATKLR-INIZCTEOSA-N
MW357.41 g/mol
LogP0.59
Rot. Bonds4

About (3S)-4-[(5-methylfuran-2-yl)methyl]-3-[2-oxo-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one

(3S)-4-[(5-methylfuran-2-yl)methyl]-3-[2-oxo-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one (PubChem CID 97433851) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is (3S)-4-[(5-methylfuran-2-yl)methyl]-3-[2-oxo-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one.

Molecular Properties

Compound Name(3S)-4-[(5-methylfuran-2-yl)methyl]-3-[2-oxo-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one
PubChem CID97433851
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name(3S)-4-[(5-methylfuran-2-yl)methyl]-3-[2-oxo-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one
SMILESCc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCc3nc[nH]c3C2)o1
InChIInChI=1S/C18H23N5O3/c1-12-2-3-13(26-12)9-22-7-5-19-18(25)16(22)8-17(24)23-6-4-14-15(10-23)21-11-20-14/h2-3,11,16H,4-10H2,1H3,(H,19,25)(H,20,21)/t16-/m0/s1
InChIKeyDERMKABOOATKLR-INIZCTEOSA-N
XLogP0.59
TPSA94.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S)-4-[(5-methylfuran-2-yl)methyl]-3-[2-oxo-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one with MolForge

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Related Compounds

4-[(5-methylfuran-2-yl)methyl]-3-[2-oxo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]piperazin-2-one
CID 157013730
(3S)-3-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-4-[(5-methylfuran-2-yl)methyl]piperazin-2-one
CID 125159069
3-[2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]-4-[(5-methylfuran-2-yl)methyl]piperazin-2-one
CID 119061653
(3S)-4-[(5-methylfuran-2-yl)methyl]-3-[2-oxo-2-[3-(1,3-thiazol-2-yl)azetidin-1-yl]ethyl]piperazin-2-one
CID 125176564
3-[2-[3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(5-methylfuran-2-yl)methyl]piperazin-2-one
CID 45190532
N-methyl-2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 26321929
N-methyl-2-[1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide
CID 45185862
4-ethyl-3-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one
CID 169412893
2-chloro-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 131057090
2-[1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-oxopiperazin-2-yl]acetic acid
CID 65070911
2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
CID 124754979
2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 95718993

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[(5-methylfuran-2-yl)methyl]-3-[2-oxo-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one?
The IUPAC name of (3S)-4-[(5-methylfuran-2-yl)methyl]-3-[2-oxo-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one (CID 97433851) is (3S)-4-[(5-methylfuran-2-yl)methyl]-3-[2-oxo-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one.
What is the SMILES notation for (3S)-4-[(5-methylfuran-2-yl)methyl]-3-[2-oxo-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one?
The canonical SMILES for (3S)-4-[(5-methylfuran-2-yl)methyl]-3-[2-oxo-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one is Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCc3nc[nH]c3C2)o1.
What is the InChIKey of (3S)-4-[(5-methylfuran-2-yl)methyl]-3-[2-oxo-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one?
The InChIKey is DERMKABOOATKLR-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-12-2-3-13(26-12)9-22-7-5-19-18(25)16(22)8-17(24)23-6-4-14-15(10-23)21-11-20-14/h2-3,11,16H,4-10H2,1H3,(H,19,25)(H,20,21)/t16-/m0/s1.
What are the key properties of (3S)-4-[(5-methylfuran-2-yl)methyl]-3-[2-oxo-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one?
(3S)-4-[(5-methylfuran-2-yl)methyl]-3-[2-oxo-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one has a molecular weight of 357.41 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[(5-methylfuran-2-yl)methyl]-3-[2-oxo-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one is sourced from PubChem (CID 97433851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).