1-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]-4-(tetrazol-1-yl)butan-1-one

C16H28N6O3 — CID 72937526

IUPAC1-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]-4-(tetrazol-1-yl)butan-1-one
SMILESO=C(CCCn1cnnn1)N1C[C@H](CO)C[C@H](CN2CCOCC2)C1
InChIInChI=1S/C16H28N6O3/c23-12-15-8-14(9-20-4-6-25-7-5-20)10-21(11-15)16(24)2-1-3-22-13-17-18-19-22/h13-15,23H,1-12H2/t14-,15-/m1/s1
InChIKeyQOKMQQJTSJZRDP-HUUCEWRRSA-N
MW352.44 g/mol
LogP-0.76
Rot. Bonds7

About 1-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]-4-(tetrazol-1-yl)butan-1-one

1-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]-4-(tetrazol-1-yl)butan-1-one (PubChem CID 72937526) has the molecular formula C16H28N6O3 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]-4-(tetrazol-1-yl)butan-1-one.

Molecular Properties

Compound Name1-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]-4-(tetrazol-1-yl)butan-1-one
PubChem CID72937526
Molecular FormulaC16H28N6O3
Molecular Weight352.44 g/mol
Exact Mass352.22
IUPAC Name1-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]-4-(tetrazol-1-yl)butan-1-one
SMILESO=C(CCCn1cnnn1)N1C[C@H](CO)C[C@H](CN2CCOCC2)C1
InChIInChI=1S/C16H28N6O3/c23-12-15-8-14(9-20-4-6-25-7-5-20)10-21(11-15)16(24)2-1-3-22-13-17-18-19-22/h13-15,23H,1-12H2/t14-,15-/m1/s1
InChIKeyQOKMQQJTSJZRDP-HUUCEWRRSA-N
XLogP-0.76
TPSA96.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]-4-(tetrazol-1-yl)butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-3-(1,2,4-triazol-4-yl)propan-1-one
CID 156603706
1-[3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]-3-methylsulfonylpropan-1-one
CID 156603588
1-[(3S,4S)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 133109858
1-[(3S,5S)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-one
CID 133136030
1-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenylethanone
CID 72841875
1-[(3S,5S)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one
CID 133127611
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 156603708
[3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 156606668
[(3S,5R)-5-(morpholin-4-ylmethyl)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]methanol
CID 72940984
1-[(3S,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 97026542
5-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1-methylpyrrole-3-carbonitrile
CID 72842351
2,3-dihydro-1,4-benzodioxin-6-yl-[(3S,5S)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 164630313

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]-4-(tetrazol-1-yl)butan-1-one?
The IUPAC name of 1-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]-4-(tetrazol-1-yl)butan-1-one (CID 72937526) is 1-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]-4-(tetrazol-1-yl)butan-1-one.
What is the SMILES notation for 1-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]-4-(tetrazol-1-yl)butan-1-one?
The canonical SMILES for 1-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]-4-(tetrazol-1-yl)butan-1-one is O=C(CCCn1cnnn1)N1C[C@H](CO)C[C@H](CN2CCOCC2)C1.
What is the InChIKey of 1-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]-4-(tetrazol-1-yl)butan-1-one?
The InChIKey is QOKMQQJTSJZRDP-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H28N6O3/c23-12-15-8-14(9-20-4-6-25-7-5-20)10-21(11-15)16(24)2-1-3-22-13-17-18-19-22/h13-15,23H,1-12H2/t14-,15-/m1/s1.
What are the key properties of 1-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]-4-(tetrazol-1-yl)butan-1-one?
1-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]-4-(tetrazol-1-yl)butan-1-one has a molecular weight of 352.44 g/mol, XLogP of -0.76, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]-4-(tetrazol-1-yl)butan-1-one is sourced from PubChem (CID 72937526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).