N-[[2-[(3R)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4-(tetrazol-1-yl)butanamide

C16H23N7O2 — CID 95219026

IUPACN-[[2-[(3R)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4-(tetrazol-1-yl)butanamide
SMILESO=C(CCCn1cnnn1)NCc1cccnc1N1CCC[C@@H](O)C1
InChIInChI=1S/C16H23N7O2/c24-14-5-2-8-22(11-14)16-13(4-1-7-17-16)10-18-15(25)6-3-9-23-12-19-20-21-23/h1,4,7,12,14,24H,2-3,5-6,8-11H2,(H,18,25)/t14-/m1/s1
InChIKeyXEBNWXWXQGRCLV-CQSZACIVSA-N
MW345.41 g/mol
LogP0.13
Rot. Bonds7

About N-[[2-[(3R)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4-(tetrazol-1-yl)butanamide

N-[[2-[(3R)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4-(tetrazol-1-yl)butanamide (PubChem CID 95219026) has the molecular formula C16H23N7O2 and a molecular weight of 345.41 g/mol. Its IUPAC name is N-[[2-[(3R)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4-(tetrazol-1-yl)butanamide.

Molecular Properties

Compound NameN-[[2-[(3R)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4-(tetrazol-1-yl)butanamide
PubChem CID95219026
Molecular FormulaC16H23N7O2
Molecular Weight345.41 g/mol
Exact Mass345.19
IUPAC NameN-[[2-[(3R)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4-(tetrazol-1-yl)butanamide
SMILESO=C(CCCn1cnnn1)NCc1cccnc1N1CCC[C@@H](O)C1
InChIInChI=1S/C16H23N7O2/c24-14-5-2-8-22(11-14)16-13(4-1-7-17-16)10-18-15(25)6-3-9-23-12-19-20-21-23/h1,4,7,12,14,24H,2-3,5-6,8-11H2,(H,18,25)/t14-/m1/s1
InChIKeyXEBNWXWXQGRCLV-CQSZACIVSA-N
XLogP0.13
TPSA109.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-(3,5-dimethylphenyl)-N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]propanamide
CID 45206257
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]acetamide
CID 45232066
N-[[2-[(3R)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-2-methylfuran-3-carboxamide
CID 42147241
N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-2-methylfuran-3-carboxamide
CID 45252804
N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 95191432
N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 45184288
N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-4-(tetrazol-1-yl)butanamide
CID 125442193
N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-4-phenyl-1H-imidazole-5-carboxamide
CID 56745363
N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 42305622
N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 56750620
N-[[2-[(3R)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 95204100
1-[3-[(furan-2-ylmethylamino)methyl]-2-pyridinyl]piperidin-3-ol
CID 45229309

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3R)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4-(tetrazol-1-yl)butanamide?
The IUPAC name of N-[[2-[(3R)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4-(tetrazol-1-yl)butanamide (CID 95219026) is N-[[2-[(3R)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4-(tetrazol-1-yl)butanamide.
What is the SMILES notation for N-[[2-[(3R)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4-(tetrazol-1-yl)butanamide?
The canonical SMILES for N-[[2-[(3R)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4-(tetrazol-1-yl)butanamide is O=C(CCCn1cnnn1)NCc1cccnc1N1CCC[C@@H](O)C1.
What is the InChIKey of N-[[2-[(3R)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4-(tetrazol-1-yl)butanamide?
The InChIKey is XEBNWXWXQGRCLV-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23N7O2/c24-14-5-2-8-22(11-14)16-13(4-1-7-17-16)10-18-15(25)6-3-9-23-12-19-20-21-23/h1,4,7,12,14,24H,2-3,5-6,8-11H2,(H,18,25)/t14-/m1/s1.
What are the key properties of N-[[2-[(3R)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4-(tetrazol-1-yl)butanamide?
N-[[2-[(3R)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4-(tetrazol-1-yl)butanamide has a molecular weight of 345.41 g/mol, XLogP of 0.13, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3R)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4-(tetrazol-1-yl)butanamide is sourced from PubChem (CID 95219026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).