2-(benzotriazol-2-yl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C22H33N5O3 — CID 29209581

IUPAC2-(benzotriazol-2-yl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCOCCN1CCC(CN(C[C@@H]2CCCO2)C(=O)Cn2nc3ccccc3n2)CC1
InChIInChI=1S/C22H33N5O3/c1-29-14-12-25-10-8-18(9-11-25)15-26(16-19-5-4-13-30-19)22(28)17-27-23-20-6-2-3-7-21(20)24-27/h2-3,6-7,18-19H,4-5,8-17H2,1H3/t19-/m0/s1
InChIKeyDEAPZJCKONRAMI-IBGZPJMESA-N
MW415.54 g/mol
LogP1.80
Rot. Bonds9

About 2-(benzotriazol-2-yl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

2-(benzotriazol-2-yl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 29209581) has the molecular formula C22H33N5O3 and a molecular weight of 415.54 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID29209581
Molecular FormulaC22H33N5O3
Molecular Weight415.54 g/mol
Exact Mass415.26
IUPAC Name2-(benzotriazol-2-yl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCOCCN1CCC(CN(C[C@@H]2CCCO2)C(=O)Cn2nc3ccccc3n2)CC1
InChIInChI=1S/C22H33N5O3/c1-29-14-12-25-10-8-18(9-11-25)15-26(16-19-5-4-13-30-19)22(28)17-27-23-20-6-2-3-7-21(20)24-27/h2-3,6-7,18-19H,4-5,8-17H2,1H3/t19-/m0/s1
InChIKeyDEAPZJCKONRAMI-IBGZPJMESA-N
XLogP1.80
TPSA72.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-3-thiophen-2-ylpropanamide
CID 45230896
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-4-thiophen-2-ylbutanamide
CID 45201215
4-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 45224635
3-acetamido-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 42286362
N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)methanamine
CID 45174931
1-[3-[[[1-(2-methoxyethyl)piperidin-4-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]phenyl]ethanone
CID 42242104
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-(tetrazol-1-yl)acetamide
CID 26324074
2-(diethylamino)-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 42557577
1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
CID 25274205
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]butanamide
CID 97280347
3-(2-methylimidazol-1-yl)-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 45173771
2-(benzotriazol-2-yl)-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)acetamide
CID 45172069

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-(benzotriazol-2-yl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 29209581) is 2-(benzotriazol-2-yl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(benzotriazol-2-yl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-(benzotriazol-2-yl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is COCCN1CCC(CN(C[C@@H]2CCCO2)C(=O)Cn2nc3ccccc3n2)CC1.
What is the InChIKey of 2-(benzotriazol-2-yl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is DEAPZJCKONRAMI-IBGZPJMESA-N. The full InChI is InChI=1S/C22H33N5O3/c1-29-14-12-25-10-8-18(9-11-25)15-26(16-19-5-4-13-30-19)22(28)17-27-23-20-6-2-3-7-21(20)24-27/h2-3,6-7,18-19H,4-5,8-17H2,1H3/t19-/m0/s1.
What are the key properties of 2-(benzotriazol-2-yl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
2-(benzotriazol-2-yl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 415.54 g/mol, XLogP of 1.80, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 29209581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).