N,N-diethyl-2-[2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]anilino]acetamide

C19H31N3O2 — CID 110932866

IUPACN,N-diethyl-2-[2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]anilino]acetamide
SMILESCCN(CC)C(=O)CNc1ccccc1CN1CCC(CO)CC1
InChIInChI=1S/C19H31N3O2/c1-3-22(4-2)19(24)13-20-18-8-6-5-7-17(18)14-21-11-9-16(15-23)10-12-21/h5-8,16,20,23H,3-4,9-15H2,1-2H3
InChIKeyMEDLHOXWYAWJGF-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.17
Rot. Bonds8

About N,N-diethyl-2-[2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]anilino]acetamide

N,N-diethyl-2-[2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]anilino]acetamide (PubChem CID 110932866) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N,N-diethyl-2-[2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]anilino]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]anilino]acetamide
PubChem CID110932866
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC NameN,N-diethyl-2-[2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]anilino]acetamide
SMILESCCN(CC)C(=O)CNc1ccccc1CN1CCC(CO)CC1
InChIInChI=1S/C19H31N3O2/c1-3-22(4-2)19(24)13-20-18-8-6-5-7-17(18)14-21-11-9-16(15-23)10-12-21/h5-8,16,20,23H,3-4,9-15H2,1-2H3
InChIKeyMEDLHOXWYAWJGF-UHFFFAOYSA-N
XLogP2.17
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[[2-[(1,3-dimethylpyrazol-4-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol
CID 109482213
[1-[[2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol
CID 110932857
[1-[[2-[(5-chloro-1-methylimidazol-2-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol
CID 111778087
[1-[[2-[(2,4-difluorophenyl)methylamino]phenyl]methyl]piperidin-4-yl]methanol
CID 111976965
2-[2-(morpholin-4-ylmethyl)anilino]-N-phenyl-N-propan-2-ylacetamide
CID 55918198
methyl 2-[2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetate
CID 115463329
N,N-diethyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 78788102
cis-(1S,3R)-3-[2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]anilino]cyclohexane-1-carbonitrile
CID 124625572
[1-(2-ethylphenyl)piperidin-4-yl]methanol
CID 117027933
N-(2-ethoxyphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 75810083
2-[2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]phenyl]acetic acid
CID 115462730
N-ethyl-1-[(2-hydroxyphenyl)methyl]-N-(2-methylprop-2-enyl)piperidine-4-carboxamide
CID 762868

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]anilino]acetamide?
The IUPAC name of N,N-diethyl-2-[2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]anilino]acetamide (CID 110932866) is N,N-diethyl-2-[2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]anilino]acetamide.
What is the SMILES notation for N,N-diethyl-2-[2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]anilino]acetamide?
The canonical SMILES for N,N-diethyl-2-[2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]anilino]acetamide is CCN(CC)C(=O)CNc1ccccc1CN1CCC(CO)CC1.
What is the InChIKey of N,N-diethyl-2-[2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]anilino]acetamide?
The InChIKey is MEDLHOXWYAWJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-3-22(4-2)19(24)13-20-18-8-6-5-7-17(18)14-21-11-9-16(15-23)10-12-21/h5-8,16,20,23H,3-4,9-15H2,1-2H3.
What are the key properties of N,N-diethyl-2-[2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]anilino]acetamide?
N,N-diethyl-2-[2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]anilino]acetamide has a molecular weight of 333.48 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]anilino]acetamide is sourced from PubChem (CID 110932866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).