1-[(3R)-3-(hydroxymethyl)-3-(2-phenylethyl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one

C18H25N5O2 — CID 26325656

IUPAC1-[(3R)-3-(hydroxymethyl)-3-(2-phenylethyl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
SMILESO=C(CCn1cnnn1)N1CCC[C@](CO)(CCc2ccccc2)C1
InChIInChI=1S/C18H25N5O2/c24-14-18(10-7-16-5-2-1-3-6-16)9-4-11-22(13-18)17(25)8-12-23-15-19-20-21-23/h1-3,5-6,15,24H,4,7-14H2/t18-/m0/s1
InChIKeyHBUJFFHSTDPCTF-SFHVURJKSA-N
MW343.43 g/mol
LogP1.30
Rot. Bonds7

About 1-[(3R)-3-(hydroxymethyl)-3-(2-phenylethyl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one

1-[(3R)-3-(hydroxymethyl)-3-(2-phenylethyl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one (PubChem CID 26325656) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[(3R)-3-(hydroxymethyl)-3-(2-phenylethyl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-(hydroxymethyl)-3-(2-phenylethyl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
PubChem CID26325656
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-[(3R)-3-(hydroxymethyl)-3-(2-phenylethyl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
SMILESO=C(CCn1cnnn1)N1CCC[C@](CO)(CCc2ccccc2)C1
InChIInChI=1S/C18H25N5O2/c24-14-18(10-7-16-5-2-1-3-6-16)9-4-11-22(13-18)17(25)8-12-23-15-19-20-21-23/h1-3,5-6,15,24H,4,7-14H2/t18-/m0/s1
InChIKeyHBUJFFHSTDPCTF-SFHVURJKSA-N
XLogP1.30
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(3R)-3-(hydroxymethyl)-3-(2-phenylethyl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one with MolForge

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Related Compounds

1-[(3S)-3-(hydroxymethyl)-3-(2-phenylethyl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 26325654
1-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(tetrazol-1-yl)propan-1-one
CID 45196357
7-(2-phenylethyl)-2-[3-(tetrazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 56904394
1-[3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one
CID 45201155
1-[3-(hydroxymethyl)-3-(2-phenylethyl)piperidin-1-yl]-2-pyrimidin-2-ylsulfanylethanone
CID 45220389
1-[(3R)-3-(hydroxymethyl)-3-(2-phenylethyl)piperidin-1-yl]-2-pyrimidin-2-ylsulfanylethanone
CID 25303247
3-methyl-1-[3-(tetrazol-1-yl)propanoyl]piperidine-3-carbonitrile
CID 131924559
1-[9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-3-(tetrazol-1-yl)propan-1-one
CID 45204167
[3-(hydroxymethyl)-3-(2-phenylethyl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 45180792
[(3R)-3-(hydroxymethyl)-3-(2-phenylethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 25305670
1-[3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]-4-phenylbutan-1-one
CID 45208804
(1,5-dimethylpyrazol-3-yl)-[3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]methanone
CID 45241873

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(hydroxymethyl)-3-(2-phenylethyl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?
The IUPAC name of 1-[(3R)-3-(hydroxymethyl)-3-(2-phenylethyl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one (CID 26325656) is 1-[(3R)-3-(hydroxymethyl)-3-(2-phenylethyl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[(3R)-3-(hydroxymethyl)-3-(2-phenylethyl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[(3R)-3-(hydroxymethyl)-3-(2-phenylethyl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one is O=C(CCn1cnnn1)N1CCC[C@](CO)(CCc2ccccc2)C1.
What is the InChIKey of 1-[(3R)-3-(hydroxymethyl)-3-(2-phenylethyl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?
The InChIKey is HBUJFFHSTDPCTF-SFHVURJKSA-N. The full InChI is InChI=1S/C18H25N5O2/c24-14-18(10-7-16-5-2-1-3-6-16)9-4-11-22(13-18)17(25)8-12-23-15-19-20-21-23/h1-3,5-6,15,24H,4,7-14H2/t18-/m0/s1.
What are the key properties of 1-[(3R)-3-(hydroxymethyl)-3-(2-phenylethyl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?
1-[(3R)-3-(hydroxymethyl)-3-(2-phenylethyl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one has a molecular weight of 343.43 g/mol, XLogP of 1.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(hydroxymethyl)-3-(2-phenylethyl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one is sourced from PubChem (CID 26325656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).