N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-4-(tetrazol-1-yl)butanamide

C16H23N7O — CID 125442193

IUPACN-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-4-(tetrazol-1-yl)butanamide
SMILESO=C(CCCn1cnnn1)N[C@@H]1CCCN(Cc2cccnc2)C1
InChIInChI=1S/C16H23N7O/c24-16(6-3-9-23-13-18-20-21-23)19-15-5-2-8-22(12-15)11-14-4-1-7-17-10-14/h1,4,7,10,13,15H,2-3,5-6,8-9,11-12H2,(H,19,24)/t15-/m1/s1
InChIKeyLUVCBKZRWOWMTD-OAHLLOKOSA-N
MW329.41 g/mol
LogP0.63
Rot. Bonds7

About N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-4-(tetrazol-1-yl)butanamide

N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-4-(tetrazol-1-yl)butanamide (PubChem CID 125442193) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-4-(tetrazol-1-yl)butanamide.

Molecular Properties

Compound NameN-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-4-(tetrazol-1-yl)butanamide
PubChem CID125442193
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC NameN-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-4-(tetrazol-1-yl)butanamide
SMILESO=C(CCCn1cnnn1)N[C@@H]1CCCN(Cc2cccnc2)C1
InChIInChI=1S/C16H23N7O/c24-16(6-3-9-23-13-18-20-21-23)19-15-5-2-8-22(12-15)11-14-4-1-7-17-10-14/h1,4,7,10,13,15H,2-3,5-6,8-9,11-12H2,(H,19,24)/t15-/m1/s1
InChIKeyLUVCBKZRWOWMTD-OAHLLOKOSA-N
XLogP0.63
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
CID 125431354
N-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-4-pyrazol-1-ylbutanamide
CID 125178153
3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]propanamide
CID 125173839
3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]propanamide
CID 118794907
3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]propanamide
CID 125173828
N-[(3R)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-pyridin-3-ylpropanamide
CID 42517014
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 125165036
2-(2-methylphenyl)sulfanyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 124749391
2-(5-amino-3-methylpyrazol-1-yl)-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 124753575
1,5-dimethyl-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-3-carboxamide
CID 172900155
N-[3-hydroxy-1-(pyridin-3-ylmethyl)piperidin-4-yl]pentanamide
CID 166331020
6-oxo-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1H-pyrazine-3-carboxamide
CID 124855297

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-4-(tetrazol-1-yl)butanamide?
The IUPAC name of N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-4-(tetrazol-1-yl)butanamide (CID 125442193) is N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-4-(tetrazol-1-yl)butanamide.
What is the SMILES notation for N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-4-(tetrazol-1-yl)butanamide?
The canonical SMILES for N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-4-(tetrazol-1-yl)butanamide is O=C(CCCn1cnnn1)N[C@@H]1CCCN(Cc2cccnc2)C1.
What is the InChIKey of N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-4-(tetrazol-1-yl)butanamide?
The InChIKey is LUVCBKZRWOWMTD-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H23N7O/c24-16(6-3-9-23-13-18-20-21-23)19-15-5-2-8-22(12-15)11-14-4-1-7-17-10-14/h1,4,7,10,13,15H,2-3,5-6,8-9,11-12H2,(H,19,24)/t15-/m1/s1.
What are the key properties of N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-4-(tetrazol-1-yl)butanamide?
N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-4-(tetrazol-1-yl)butanamide has a molecular weight of 329.41 g/mol, XLogP of 0.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-4-(tetrazol-1-yl)butanamide is sourced from PubChem (CID 125442193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).