(3R)-1-(2-amino-2-oxoethyl)-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]piperidine-3-carboxamide

C17H27N5O2 — CID 95214360

IUPAC(3R)-1-(2-amino-2-oxoethyl)-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]piperidine-3-carboxamide
SMILESNC(=O)CN1CCC[C@@H](C(=O)NCCc2n[nH]c3c2CCCC3)C1
InChIInChI=1S/C17H27N5O2/c18-16(23)11-22-9-3-4-12(10-22)17(24)19-8-7-15-13-5-1-2-6-14(13)20-21-15/h12H,1-11H2,(H2,18,23)(H,19,24)(H,20,21)/t12-/m1/s1
InChIKeyFARBYIPDODTSCK-GFCCVEGCSA-N
MW333.44 g/mol
LogP0.14
Rot. Bonds6

About (3R)-1-(2-amino-2-oxoethyl)-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]piperidine-3-carboxamide

(3R)-1-(2-amino-2-oxoethyl)-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]piperidine-3-carboxamide (PubChem CID 95214360) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is (3R)-1-(2-amino-2-oxoethyl)-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2-amino-2-oxoethyl)-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]piperidine-3-carboxamide
PubChem CID95214360
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name(3R)-1-(2-amino-2-oxoethyl)-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]piperidine-3-carboxamide
SMILESNC(=O)CN1CCC[C@@H](C(=O)NCCc2n[nH]c3c2CCCC3)C1
InChIInChI=1S/C17H27N5O2/c18-16(23)11-22-9-3-4-12(10-22)17(24)19-8-7-15-13-5-1-2-6-14(13)20-21-15/h12H,1-11H2,(H2,18,23)(H,19,24)(H,20,21)/t12-/m1/s1
InChIKeyFARBYIPDODTSCK-GFCCVEGCSA-N
XLogP0.14
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3R)-1-(2-amino-2-oxoethyl)-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]piperidine-3-carboxamide with MolForge

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Related Compounds

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1-(2-amino-2-oxoethyl)-N-[2-(1-hydroxycyclopentyl)ethyl]piperidine-3-carboxamide
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(3S)-1-(2-amino-2-oxoethyl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
CID 97146004
1-(2-amino-2-oxoethyl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]piperidine-3-carboxamide
CID 46995964
1-acetyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)azetidine-3-carboxamide
CID 138036020
(3R)-1-(2-amino-2-oxoethyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide
CID 97126751
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CID 146046666
1-(2-amino-2-oxoethyl)-N-[[5-(dimethylcarbamoyl)furan-2-yl]methyl]piperidine-3-carboxamide
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(3R)-1-(2-amino-2-oxoethyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]piperidine-3-carboxamide
CID 97148275
(3S)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide
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1-(2-amino-2-oxoethyl)-N-[(3-chloro-2-methylphenyl)methyl]piperidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-amino-2-oxoethyl)-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(2-amino-2-oxoethyl)-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]piperidine-3-carboxamide (CID 95214360) is (3R)-1-(2-amino-2-oxoethyl)-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2-amino-2-oxoethyl)-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2-amino-2-oxoethyl)-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]piperidine-3-carboxamide is NC(=O)CN1CCC[C@@H](C(=O)NCCc2n[nH]c3c2CCCC3)C1.
What is the InChIKey of (3R)-1-(2-amino-2-oxoethyl)-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is FARBYIPDODTSCK-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H27N5O2/c18-16(23)11-22-9-3-4-12(10-22)17(24)19-8-7-15-13-5-1-2-6-14(13)20-21-15/h12H,1-11H2,(H2,18,23)(H,19,24)(H,20,21)/t12-/m1/s1.
What are the key properties of (3R)-1-(2-amino-2-oxoethyl)-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]piperidine-3-carboxamide?
(3R)-1-(2-amino-2-oxoethyl)-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-amino-2-oxoethyl)-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 95214360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).