2-amino-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-(oxan-4-yl)acetamide

C21H31N3O3 — CID 120790160

IUPAC2-amino-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-(oxan-4-yl)acetamide
SMILESCc1cc(C(=O)N2CCCCC2C)ccc1NC(=O)C(N)C1CCOCC1
InChIInChI=1S/C21H31N3O3/c1-14-13-17(21(26)24-10-4-3-5-15(24)2)6-7-18(14)23-20(25)19(22)16-8-11-27-12-9-16/h6-7,13,15-16,19H,3-5,8-12,22H2,1-2H3,(H,23,25)
InChIKeyFZIVGFNYPPDYLX-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.70
Rot. Bonds4

About 2-amino-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-(oxan-4-yl)acetamide

2-amino-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-(oxan-4-yl)acetamide (PubChem CID 120790160) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-amino-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-(oxan-4-yl)acetamide
PubChem CID120790160
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name2-amino-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-(oxan-4-yl)acetamide
SMILESCc1cc(C(=O)N2CCCCC2C)ccc1NC(=O)C(N)C1CCOCC1
InChIInChI=1S/C21H31N3O3/c1-14-13-17(21(26)24-10-4-3-5-15(24)2)6-7-18(14)23-20(25)19(22)16-8-11-27-12-9-16/h6-7,13,15-16,19H,3-5,8-12,22H2,1-2H3,(H,23,25)
InChIKeyFZIVGFNYPPDYLX-UHFFFAOYSA-N
XLogP2.70
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 119305940
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]propanamide
CID 95139458
2-methyl-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylsulfanylpropanamide
CID 86933803
2-(diethylamino)-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide
CID 56580263
2-amino-N-(4-fluoro-2-methylphenyl)-2-(oxan-4-yl)acetamide
CID 120783512
(3R)-N-[2-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-1,1-dioxothiolane-3-carboxamide
CID 95279539
4-amino-3-methoxy-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]butanamide
CID 120590472
5-[[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119113859
[3-methyl-4-[(5-methylfuran-2-yl)methylamino]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 100623753
2-amino-N-(2,5-dimethylphenyl)-2-(oxan-4-yl)acetamide
CID 120782547
3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-cyclopropyl-4-methylbenzamide
CID 120786526
N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 128950826

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-(oxan-4-yl)acetamide (CID 120790160) is 2-amino-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-(oxan-4-yl)acetamide is Cc1cc(C(=O)N2CCCCC2C)ccc1NC(=O)C(N)C1CCOCC1.
What is the InChIKey of 2-amino-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-(oxan-4-yl)acetamide?
The InChIKey is FZIVGFNYPPDYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-14-13-17(21(26)24-10-4-3-5-15(24)2)6-7-18(14)23-20(25)19(22)16-8-11-27-12-9-16/h6-7,13,15-16,19H,3-5,8-12,22H2,1-2H3,(H,23,25).
What are the key properties of 2-amino-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-(oxan-4-yl)acetamide?
2-amino-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-(oxan-4-yl)acetamide has a molecular weight of 373.50 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120790160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).