1-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone

C19H25N5O2 — CID 70779136

IUPAC1-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
SMILESO=C(Cc1ccc(-n2cnnn2)cc1)N1CCCC(CO)(CC2CC2)C1
InChIInChI=1S/C19H25N5O2/c25-13-19(11-16-2-3-16)8-1-9-23(12-19)18(26)10-15-4-6-17(7-5-15)24-14-20-21-22-24/h4-7,14,16,25H,1-3,8-13H2
InChIKeyCDLUDKHDHQIOFJ-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.61
Rot. Bonds6

About 1-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone

1-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone (PubChem CID 70779136) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
PubChem CID70779136
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name1-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
SMILESO=C(Cc1ccc(-n2cnnn2)cc1)N1CCCC(CO)(CC2CC2)C1
InChIInChI=1S/C19H25N5O2/c25-13-19(11-16-2-3-16)8-1-9-23(12-19)18(26)10-15-4-6-17(7-5-15)24-14-20-21-22-24/h4-7,14,16,25H,1-3,8-13H2
InChIKeyCDLUDKHDHQIOFJ-UHFFFAOYSA-N
XLogP1.61
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3-benzodioxol-5-yl)-1-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 72847038
1-[3-(cyclopropylmethoxy)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
CID 136533491
1-[6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
CID 86730459
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
CID 111561769
1-[4-(aminomethyl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone;hydrochloride
CID 119423814
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
CID 120656068
N-[1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidin-3-yl]methanesulfonamide
CID 55679023
(2S)-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]pyrrolidine-2-carboxylic acid
CID 119366022
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone;hydrochloride
CID 120656067
[(3S)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-(4-hydroxyphenyl)methanone
CID 97139381
[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 97123436
1-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-3-(2-methylimidazol-1-yl)propan-1-one
CID 72900277

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone?
The IUPAC name of 1-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone (CID 70779136) is 1-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone is O=C(Cc1ccc(-n2cnnn2)cc1)N1CCCC(CO)(CC2CC2)C1.
What is the InChIKey of 1-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone?
The InChIKey is CDLUDKHDHQIOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c25-13-19(11-16-2-3-16)8-1-9-23(12-19)18(26)10-15-4-6-17(7-5-15)24-14-20-21-22-24/h4-7,14,16,25H,1-3,8-13H2.
What are the key properties of 1-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone?
1-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone has a molecular weight of 355.44 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone is sourced from PubChem (CID 70779136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).