1-[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone

C19H30N8O2 — CID 26400106

IUPAC1-[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone
SMILESCc1nccn1CC[C@@H]1CCCCN1C(=O)Cn1nnnc1CN1CCOCC1
InChIInChI=1S/C19H30N8O2/c1-16-20-6-9-25(16)8-5-17-4-2-3-7-26(17)19(28)15-27-18(21-22-23-27)14-24-10-12-29-13-11-24/h6,9,17H,2-5,7-8,10-15H2,1H3/t17-/m0/s1
InChIKeyXZDYDACVBWARMH-KRWDZBQOSA-N
MW402.50 g/mol
LogP0.48
Rot. Bonds7

About 1-[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone

1-[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone (PubChem CID 26400106) has the molecular formula C19H30N8O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 1-[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone
PubChem CID26400106
Molecular FormulaC19H30N8O2
Molecular Weight402.50 g/mol
Exact Mass402.25
IUPAC Name1-[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone
SMILESCc1nccn1CC[C@@H]1CCCCN1C(=O)Cn1nnnc1CN1CCOCC1
InChIInChI=1S/C19H30N8O2/c1-16-20-6-9-25(16)8-5-17-4-2-3-7-26(17)19(28)15-27-18(21-22-23-27)14-24-10-12-29-13-11-24/h6,9,17H,2-5,7-8,10-15H2,1H3/t17-/m0/s1
InChIKeyXZDYDACVBWARMH-KRWDZBQOSA-N
XLogP0.48
TPSA94.20 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-[3-Methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 53570699
1-[(1-methyl-1H-imidazol-2-yl)methyl]-4-({5-[(4-methyl-1-piperidinyl)methyl]-1H-tetrazol-1-yl}acetyl)piperazine
CID 42517825
2-(5-{[(2R*,6S*)-2,6-dimethyl-4-morpholinyl]methyl}-1H-tetrazol-1-yl)-N-isopropyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]acetamide
CID 29023568
N-isopropyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-2-{5-[(4-methyl-1-piperidinyl)methyl]-1H-tetrazol-1-yl}acetamide
CID 42289435
1-[2-[2-(2-Methylimidazol-1-yl)ethyl]piperidin-1-yl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone
CID 45244060
4-{[1-(2-{2-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1-piperidinyl}-2-oxoethyl)-1H-tetrazol-5-yl]methyl}morpholine
CID 45248495
(2R*,6S*)-2,6-dimethyl-4-(2-{2-[2-(2-methyl-1H-imidazol-1-yl)ethyl]piperidin-1-yl}-2-oxoethyl)morpholine
CID 56751236
[1-[[1-(2-Methoxyethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 156608601
1-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone
CID 26400108
1-[3-(2-Methylimidazol-1-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 53589859
1-[3-(2-Methylimidazol-1-yl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one
CID 53610164
2-Morpholin-4-yl-1-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]propan-1-one
CID 53613957

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone?
The IUPAC name of 1-[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone (CID 26400106) is 1-[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone is Cc1nccn1CC[C@@H]1CCCCN1C(=O)Cn1nnnc1CN1CCOCC1.
What is the InChIKey of 1-[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone?
The InChIKey is XZDYDACVBWARMH-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H30N8O2/c1-16-20-6-9-25(16)8-5-17-4-2-3-7-26(17)19(28)15-27-18(21-22-23-27)14-24-10-12-29-13-11-24/h6,9,17H,2-5,7-8,10-15H2,1H3/t17-/m0/s1.
What are the key properties of 1-[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone?
1-[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone has a molecular weight of 402.50 g/mol, XLogP of 0.48, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone is sourced from PubChem (CID 26400106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).