[3-methyl-3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-3-yl]methanone

C18H25N7O — CID 166315007

IUPAC[3-methyl-3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-3-yl]methanone
SMILESCC1(c2nn[nH]n2)CCN(C(=O)C2CCCN(Cc3ccncc3)C2)C1
InChIInChI=1S/C18H25N7O/c1-18(17-20-22-23-21-17)6-10-25(13-18)16(26)15-3-2-9-24(12-15)11-14-4-7-19-8-5-14/h4-5,7-8,15H,2-3,6,9-13H2,1H3,(H,20,21,22,23)
InChIKeyCRJAIQNSXSFGFK-UHFFFAOYSA-N
MW355.45 g/mol
LogP1.00
Rot. Bonds4

About [3-methyl-3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-3-yl]methanone

[3-methyl-3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-3-yl]methanone (PubChem CID 166315007) has the molecular formula C18H25N7O and a molecular weight of 355.45 g/mol. Its IUPAC name is [3-methyl-3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name[3-methyl-3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-3-yl]methanone
PubChem CID166315007
Molecular FormulaC18H25N7O
Molecular Weight355.45 g/mol
Exact Mass355.21
IUPAC Name[3-methyl-3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-3-yl]methanone
SMILESCC1(c2nn[nH]n2)CCN(C(=O)C2CCCN(Cc3ccncc3)C2)C1
InChIInChI=1S/C18H25N7O/c1-18(17-20-22-23-21-17)6-10-25(13-18)16(26)15-3-2-9-24(12-15)11-14-4-7-19-8-5-14/h4-5,7-8,15H,2-3,6,9-13H2,1H3,(H,20,21,22,23)
InChIKeyCRJAIQNSXSFGFK-UHFFFAOYSA-N
XLogP1.00
TPSA90.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-methyl-3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-3-yl]methanone with MolForge

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Related Compounds

(1-benzylpiperidin-3-yl)-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 136514257
[4-(pyridin-4-ylmethyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone
CID 47030918
[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 97188319
azonan-1-yl-[(3S)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 96579465
azocan-1-yl-[1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 70776604
cyclohexyl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 78798588
(3R)-N,N-diethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 26457997
3-methyl-1-[(4-methylphenyl)methyl]-3-(2H-tetrazol-5-yl)piperidine
CID 167942440
[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 756196
azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone
CID 756185
(1-benzylpiperidin-3-yl)-pyridin-4-ylmethanone
CID 142430235
4,4-dimethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid
CID 117025480

Frequently Asked Questions

What is the IUPAC name of [3-methyl-3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-3-yl]methanone?
The IUPAC name of [3-methyl-3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-3-yl]methanone (CID 166315007) is [3-methyl-3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-3-yl]methanone.
What is the SMILES notation for [3-methyl-3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-3-yl]methanone?
The canonical SMILES for [3-methyl-3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-3-yl]methanone is CC1(c2nn[nH]n2)CCN(C(=O)C2CCCN(Cc3ccncc3)C2)C1.
What is the InChIKey of [3-methyl-3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-3-yl]methanone?
The InChIKey is CRJAIQNSXSFGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O/c1-18(17-20-22-23-21-17)6-10-25(13-18)16(26)15-3-2-9-24(12-15)11-14-4-7-19-8-5-14/h4-5,7-8,15H,2-3,6,9-13H2,1H3,(H,20,21,22,23).
What are the key properties of [3-methyl-3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-3-yl]methanone?
[3-methyl-3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-3-yl]methanone has a molecular weight of 355.45 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-3-yl]methanone is sourced from PubChem (CID 166315007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).