3-(2-amino-2-oxoethoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]butyl]benzamide

C19H29N3O3 — CID 94120837

IUPAC3-(2-amino-2-oxoethoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]butyl]benzamide
SMILESC[C@@H]1CCCCN1CCCCNC(=O)c1cccc(OCC(N)=O)c1
InChIInChI=1S/C19H29N3O3/c1-15-7-2-4-11-22(15)12-5-3-10-21-19(24)16-8-6-9-17(13-16)25-14-18(20)23/h6,8-9,13,15H,2-5,7,10-12,14H2,1H3,(H2,20,23)(H,21,24)/t15-/m1/s1
InChIKeyWQSJVRQEINGANO-OAHLLOKOSA-N
MW347.46 g/mol
LogP1.94
Rot. Bonds9

About 3-(2-amino-2-oxoethoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]butyl]benzamide

3-(2-amino-2-oxoethoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]butyl]benzamide (PubChem CID 94120837) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-(2-amino-2-oxoethoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]butyl]benzamide.

Molecular Properties

Compound Name3-(2-amino-2-oxoethoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]butyl]benzamide
PubChem CID94120837
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name3-(2-amino-2-oxoethoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]butyl]benzamide
SMILESC[C@@H]1CCCCN1CCCCNC(=O)c1cccc(OCC(N)=O)c1
InChIInChI=1S/C19H29N3O3/c1-15-7-2-4-11-22(15)12-5-3-10-21-19(24)16-8-6-9-17(13-16)25-14-18(20)23/h6,8-9,13,15H,2-5,7,10-12,14H2,1H3,(H2,20,23)(H,21,24)/t15-/m1/s1
InChIKeyWQSJVRQEINGANO-OAHLLOKOSA-N
XLogP1.94
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[4-(2-methylpiperidin-1-yl)butylcarbamoyl]benzoate
CID 60516453
N-[4-(2-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide
CID 51115795
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9472943
N-[3-(2-methylpiperidin-1-yl)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 51266645
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
3-amino-N-[2-(2-methylpiperidin-1-yl)ethyl]benzamide
CID 119850953
3-(methanesulfonamido)-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 51221498
tert-butyl N-[3-[3-[(2S)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]carbamate
CID 9473842
4-amino-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 38989093
3,4-dichloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9473209
N-[3-(2-methylpiperidin-1-yl)propyl]-2-thiophen-2-ylpyridine-4-carboxamide
CID 53036766
N-[(3-methoxyphenyl)methyl]-6-[3-(2-methylpiperidin-1-yl)propoxy]naphthalene-2-carboxamide
CID 69074724

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-oxoethoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]butyl]benzamide?
The IUPAC name of 3-(2-amino-2-oxoethoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]butyl]benzamide (CID 94120837) is 3-(2-amino-2-oxoethoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]butyl]benzamide.
What is the SMILES notation for 3-(2-amino-2-oxoethoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]butyl]benzamide?
The canonical SMILES for 3-(2-amino-2-oxoethoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]butyl]benzamide is C[C@@H]1CCCCN1CCCCNC(=O)c1cccc(OCC(N)=O)c1.
What is the InChIKey of 3-(2-amino-2-oxoethoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]butyl]benzamide?
The InChIKey is WQSJVRQEINGANO-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-15-7-2-4-11-22(15)12-5-3-10-21-19(24)16-8-6-9-17(13-16)25-14-18(20)23/h6,8-9,13,15H,2-5,7,10-12,14H2,1H3,(H2,20,23)(H,21,24)/t15-/m1/s1.
What are the key properties of 3-(2-amino-2-oxoethoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]butyl]benzamide?
3-(2-amino-2-oxoethoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]butyl]benzamide has a molecular weight of 347.46 g/mol, XLogP of 1.94, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-oxoethoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]butyl]benzamide is sourced from PubChem (CID 94120837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).