(2S)-2-[(2-methoxyacetyl)amino]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide

C16H31N3O4 — CID 120890091

IUPAC(2S)-2-[(2-methoxyacetyl)amino]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide
SMILESCOCC(=O)N[C@H](C(=O)NCC1(COC)CCNCC1)C(C)C
InChIInChI=1S/C16H31N3O4/c1-12(2)14(19-13(20)9-22-3)15(21)18-10-16(11-23-4)5-7-17-8-6-16/h12,14,17H,5-11H2,1-4H3,(H,18,21)(H,19,20)/t14-/m0/s1
InChIKeyNACJYHBVDAIQQA-AWEZNQCLSA-N
MW329.44 g/mol
LogP-0.09
Rot. Bonds9

About (2S)-2-[(2-methoxyacetyl)amino]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide

(2S)-2-[(2-methoxyacetyl)amino]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide (PubChem CID 120890091) has the molecular formula C16H31N3O4 and a molecular weight of 329.44 g/mol. Its IUPAC name is (2S)-2-[(2-methoxyacetyl)amino]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-[(2-methoxyacetyl)amino]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide
PubChem CID120890091
Molecular FormulaC16H31N3O4
Molecular Weight329.44 g/mol
Exact Mass329.23
IUPAC Name(2S)-2-[(2-methoxyacetyl)amino]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide
SMILESCOCC(=O)N[C@H](C(=O)NCC1(COC)CCNCC1)C(C)C
InChIInChI=1S/C16H31N3O4/c1-12(2)14(19-13(20)9-22-3)15(21)18-10-16(11-23-4)5-7-17-8-6-16/h12,14,17H,5-11H2,1-4H3,(H,18,21)(H,19,20)/t14-/m0/s1
InChIKeyNACJYHBVDAIQQA-AWEZNQCLSA-N
XLogP-0.09
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[(2-methoxyacetyl)amino]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide with MolForge

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Related Compounds

4-fluoro-N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 120891910
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120890024
2-chloro-N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 120889665
2-(dimethylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide
CID 120891952
N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 120888910
N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 120889673
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide;hydrochloride
CID 120888970
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,4,4-trimethylpentanamide
CID 120890413
N-[(2S)-1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 120889512
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-propan-2-yloxypropanamide;hydrochloride
CID 120891438
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 120891077
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylmethoxypropanamide
CID 120890807

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-methoxyacetyl)amino]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-[(2-methoxyacetyl)amino]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide (CID 120890091) is (2S)-2-[(2-methoxyacetyl)amino]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-[(2-methoxyacetyl)amino]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-[(2-methoxyacetyl)amino]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide is COCC(=O)N[C@H](C(=O)NCC1(COC)CCNCC1)C(C)C.
What is the InChIKey of (2S)-2-[(2-methoxyacetyl)amino]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide?
The InChIKey is NACJYHBVDAIQQA-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H31N3O4/c1-12(2)14(19-13(20)9-22-3)15(21)18-10-16(11-23-4)5-7-17-8-6-16/h12,14,17H,5-11H2,1-4H3,(H,18,21)(H,19,20)/t14-/m0/s1.
What are the key properties of (2S)-2-[(2-methoxyacetyl)amino]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide?
(2S)-2-[(2-methoxyacetyl)amino]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide has a molecular weight of 329.44 g/mol, XLogP of -0.09, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-methoxyacetyl)amino]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide is sourced from PubChem (CID 120890091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).