3-cyano-3-methyl-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]butanamide

C19H27N3O2 — CID 122140123

IUPAC3-cyano-3-methyl-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]butanamide
SMILESCN1CCC(Oc2ccc(CNC(=O)CC(C)(C)C#N)cc2)CC1
InChIInChI=1S/C19H27N3O2/c1-19(2,14-20)12-18(23)21-13-15-4-6-16(7-5-15)24-17-8-10-22(3)11-9-17/h4-7,17H,8-13H2,1-3H3,(H,21,23)
InChIKeyLZFKSPILPNJBDE-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.72
Rot. Bonds6

About 3-cyano-3-methyl-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]butanamide

3-cyano-3-methyl-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]butanamide (PubChem CID 122140123) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 3-cyano-3-methyl-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]butanamide.

Molecular Properties

Compound Name3-cyano-3-methyl-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]butanamide
PubChem CID122140123
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name3-cyano-3-methyl-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]butanamide
SMILESCN1CCC(Oc2ccc(CNC(=O)CC(C)(C)C#N)cc2)CC1
InChIInChI=1S/C19H27N3O2/c1-19(2,14-20)12-18(23)21-13-15-4-6-16(7-5-15)24-17-8-10-22(3)11-9-17/h4-7,17H,8-13H2,1-3H3,(H,21,23)
InChIKeyLZFKSPILPNJBDE-UHFFFAOYSA-N
XLogP2.72
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenoxy)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]acetamide
CID 99970858
1-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-3-phenylurea
CID 50875367
tert-butyl 3-[4-(acetamidomethyl)phenoxy]pyrrolidine-1-carboxylate
CID 123728468
(E)-3-(4-chlorophenyl)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]prop-2-enamide
CID 99970865
N-methoxy-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]methanamine
CID 115005034
N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]methanesulfonamide
CID 99971373
[4-(1-methylpiperidin-4-yl)oxyphenyl]methanol
CID 84686879
(2R)-2-(4-methoxyphenoxy)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]butanamide
CID 99971607
4-[[[4-(4-methylphenoxy)piperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122021103
(3S)-1-ethylsulfonyl-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]piperidine-3-carboxamide
CID 95194802
2-(2-ethylphenoxy)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]propanamide
CID 132660321
N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 50945290

Frequently Asked Questions

What is the IUPAC name of 3-cyano-3-methyl-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]butanamide?
The IUPAC name of 3-cyano-3-methyl-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]butanamide (CID 122140123) is 3-cyano-3-methyl-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]butanamide.
What is the SMILES notation for 3-cyano-3-methyl-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]butanamide?
The canonical SMILES for 3-cyano-3-methyl-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]butanamide is CN1CCC(Oc2ccc(CNC(=O)CC(C)(C)C#N)cc2)CC1.
What is the InChIKey of 3-cyano-3-methyl-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]butanamide?
The InChIKey is LZFKSPILPNJBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-19(2,14-20)12-18(23)21-13-15-4-6-16(7-5-15)24-17-8-10-22(3)11-9-17/h4-7,17H,8-13H2,1-3H3,(H,21,23).
What are the key properties of 3-cyano-3-methyl-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]butanamide?
3-cyano-3-methyl-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]butanamide has a molecular weight of 329.44 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-3-methyl-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]butanamide is sourced from PubChem (CID 122140123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).