N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]-4-(piperidin-1-ylmethyl)benzamide

C21H32N2O2 — CID 97201362

IUPACN-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]-4-(piperidin-1-ylmethyl)benzamide
SMILESCN(CC[C@@H]1CCCCO1)C(=O)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C21H32N2O2/c1-22(15-12-20-7-3-6-16-25-20)21(24)19-10-8-18(9-11-19)17-23-13-4-2-5-14-23/h8-11,20H,2-7,12-17H2,1H3/t20-/m0/s1
InChIKeyRVNTWHOUUIULNV-FQEVSTJZSA-N
MW344.50 g/mol
LogP3.70
Rot. Bonds6

About N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]-4-(piperidin-1-ylmethyl)benzamide

N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]-4-(piperidin-1-ylmethyl)benzamide (PubChem CID 97201362) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]-4-(piperidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]-4-(piperidin-1-ylmethyl)benzamide
PubChem CID97201362
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC NameN-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]-4-(piperidin-1-ylmethyl)benzamide
SMILESCN(CC[C@@H]1CCCCO1)C(=O)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C21H32N2O2/c1-22(15-12-20-7-3-6-16-25-20)21(24)19-10-8-18(9-11-19)17-23-13-4-2-5-14-23/h8-11,20H,2-7,12-17H2,1H3/t20-/m0/s1
InChIKeyRVNTWHOUUIULNV-FQEVSTJZSA-N
XLogP3.70
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-N-methyl-4-(piperidin-1-ylmethyl)benzamide
CID 46772901
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide
CID 72912208
4-(azepan-1-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 43921278
4-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 123169079
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylbenzamide
CID 10019926
N,N-dimethyl-2-[[N-(oxan-2-ylmethyl)-N'-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]carbamimidoyl]amino]acetamide
CID 111907935
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylbenzamide;hydrochloride
CID 14096792
4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-methyl-N-[2-(oxan-2-yl)ethyl]benzamide
CID 45188135
4-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 61435799
N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methyl-3-(piperidin-1-ylmethyl)benzamide
CID 122152760
1,1,3-trimethyl-3-[2-(oxan-2-yl)ethyl]urea
CID 110604883
4-(3,4-dimethylphenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-4-oxobutanamide
CID 110614236

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]-4-(piperidin-1-ylmethyl)benzamide?
The IUPAC name of N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]-4-(piperidin-1-ylmethyl)benzamide (CID 97201362) is N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]-4-(piperidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]-4-(piperidin-1-ylmethyl)benzamide?
The canonical SMILES for N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]-4-(piperidin-1-ylmethyl)benzamide is CN(CC[C@@H]1CCCCO1)C(=O)c1ccc(CN2CCCCC2)cc1.
What is the InChIKey of N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]-4-(piperidin-1-ylmethyl)benzamide?
The InChIKey is RVNTWHOUUIULNV-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-22(15-12-20-7-3-6-16-25-20)21(24)19-10-8-18(9-11-19)17-23-13-4-2-5-14-23/h8-11,20H,2-7,12-17H2,1H3/t20-/m0/s1.
What are the key properties of N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]-4-(piperidin-1-ylmethyl)benzamide?
N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]-4-(piperidin-1-ylmethyl)benzamide has a molecular weight of 344.50 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]-4-(piperidin-1-ylmethyl)benzamide is sourced from PubChem (CID 97201362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).