(2S)-2-acetamido-3-methyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]butanamide

C18H33N3O3 — CID 95619748

IUPAC(2S)-2-acetamido-3-methyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]butanamide
SMILESCC(=O)N[C@H](C(=O)NCC1(N2CCCCC2)CCOCC1)C(C)C
InChIInChI=1S/C18H33N3O3/c1-14(2)16(20-15(3)22)17(23)19-13-18(7-11-24-12-8-18)21-9-5-4-6-10-21/h14,16H,4-13H2,1-3H3,(H,19,23)(H,20,22)/t16-/m0/s1
InChIKeyFJOFEQDSLAWQOG-INIZCTEOSA-N
MW339.48 g/mol
LogP1.30
Rot. Bonds6

About (2S)-2-acetamido-3-methyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]butanamide

(2S)-2-acetamido-3-methyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]butanamide (PubChem CID 95619748) has the molecular formula C18H33N3O3 and a molecular weight of 339.48 g/mol. Its IUPAC name is (2S)-2-acetamido-3-methyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-3-methyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]butanamide
PubChem CID95619748
Molecular FormulaC18H33N3O3
Molecular Weight339.48 g/mol
Exact Mass339.25
IUPAC Name(2S)-2-acetamido-3-methyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]butanamide
SMILESCC(=O)N[C@H](C(=O)NCC1(N2CCCCC2)CCOCC1)C(C)C
InChIInChI=1S/C18H33N3O3/c1-14(2)16(20-15(3)22)17(23)19-13-18(7-11-24-12-8-18)21-9-5-4-6-10-21/h14,16H,4-13H2,1-3H3,(H,19,23)(H,20,22)/t16-/m0/s1
InChIKeyFJOFEQDSLAWQOG-INIZCTEOSA-N
XLogP1.30
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-acetamido-3-methyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]butanamide with MolForge

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Related Compounds

2-(1-isobutyl-3-oxopiperazin-2-yl)-N-methyl-N-(tetrahydro-2H-pyran-4-ylmethyl)acetamide
CID 16190692
2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(tetrahydro-2H-pyran-4-ylmethyl)acetamide
CID 16187712
2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(tetrahydro-2H-pyran-4-yl)acetamide
CID 16190846
2-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl-methylamino]-N-(oxan-4-yl)acetamide
CID 53609727
(2S)-1-[4-(methylcarbamoyl)oxan-4-yl]-N-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 75411537
1-Ethyl-4-(3-methylbutanoyl)-9-oxa-1,4-diazaspiro[5.5]undecan-2-one
CID 110198010
3-(Oxan-4-yl)piperazin-2-one
CID 62390742
9-Oxa-1,4-diazaspiro[5.5]undecan-3-one
CID 82412456
2-methyl-N-[[4-(2-methylbutanoylamino)oxan-4-yl]methyl]butanamide
CID 56790354
N,N-diethyl-1-(oxan-4-ylmethylamino)cyclohexane-1-carboxamide
CID 71873671
3-(2-Methylpropyl)-4-(oxane-4-carbonyl)piperazin-2-one
CID 121516011
(2S)-1-[4-(methylcarbamoyl)oxan-4-yl]-N-(oxan-4-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 127021206

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-3-methyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]butanamide?
The IUPAC name of (2S)-2-acetamido-3-methyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]butanamide (CID 95619748) is (2S)-2-acetamido-3-methyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]butanamide.
What is the SMILES notation for (2S)-2-acetamido-3-methyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]butanamide?
The canonical SMILES for (2S)-2-acetamido-3-methyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]butanamide is CC(=O)N[C@H](C(=O)NCC1(N2CCCCC2)CCOCC1)C(C)C.
What is the InChIKey of (2S)-2-acetamido-3-methyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]butanamide?
The InChIKey is FJOFEQDSLAWQOG-INIZCTEOSA-N. The full InChI is InChI=1S/C18H33N3O3/c1-14(2)16(20-15(3)22)17(23)19-13-18(7-11-24-12-8-18)21-9-5-4-6-10-21/h14,16H,4-13H2,1-3H3,(H,19,23)(H,20,22)/t16-/m0/s1.
What are the key properties of (2S)-2-acetamido-3-methyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]butanamide?
(2S)-2-acetamido-3-methyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]butanamide has a molecular weight of 339.48 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-3-methyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]butanamide is sourced from PubChem (CID 95619748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).