3-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]butanoic acid

C14H23N5O2 — CID 81048225

IUPAC3-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]butanoic acid
SMILESCC(CC(=O)O)C1CCCN(Cc2nnnn2C2CC2)C1
InChIInChI=1S/C14H23N5O2/c1-10(7-14(20)21)11-3-2-6-18(8-11)9-13-15-16-17-19(13)12-4-5-12/h10-12H,2-9H2,1H3,(H,20,21)
InChIKeyYXBYTGKCEQBJBN-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.33
Rot. Bonds6

About 3-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]butanoic acid

3-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]butanoic acid (PubChem CID 81048225) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]butanoic acid.

Molecular Properties

Compound Name3-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]butanoic acid
PubChem CID81048225
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name3-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]butanoic acid
SMILESCC(CC(=O)O)C1CCCN(Cc2nnnn2C2CC2)C1
InChIInChI=1S/C14H23N5O2/c1-10(7-14(20)21)11-3-2-6-18(8-11)9-13-15-16-17-19(13)12-4-5-12/h10-12H,2-9H2,1H3,(H,20,21)
InChIKeyYXBYTGKCEQBJBN-UHFFFAOYSA-N
XLogP1.33
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]methylamino]acetic acid
CID 106813786
3-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]butanoic acid
CID 81046878
1-[(1-cyclopropyltetrazol-5-yl)methyl]azocane
CID 47022227
3-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]butanoic acid
CID 81046675
3-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]butanoic acid
CID 81048636
3-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]butanoic acid
CID 81046459
2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 37268796
N-(2-aminoethyl)-1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidine-3-carboxamide
CID 63252804
3-(1-nonylpiperidin-3-yl)butanoic acid
CID 81047349
3-[1-[(3-chloro-5-fluorophenyl)methyl]piperidin-3-yl]butanoic acid
CID 114454980
3-[1-[(3-bromophenyl)methyl]piperidin-3-yl]butanoic acid
CID 81046962
1,4-bis[(1-cyclopropyltetrazol-5-yl)methyl]-2-methylpiperazine
CID 60565467

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]butanoic acid?
The IUPAC name of 3-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]butanoic acid (CID 81048225) is 3-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]butanoic acid.
What is the SMILES notation for 3-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]butanoic acid?
The canonical SMILES for 3-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]butanoic acid is CC(CC(=O)O)C1CCCN(Cc2nnnn2C2CC2)C1.
What is the InChIKey of 3-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]butanoic acid?
The InChIKey is YXBYTGKCEQBJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-10(7-14(20)21)11-3-2-6-18(8-11)9-13-15-16-17-19(13)12-4-5-12/h10-12H,2-9H2,1H3,(H,20,21).
What are the key properties of 3-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]butanoic acid?
3-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]butanoic acid has a molecular weight of 293.37 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]butanoic acid is sourced from PubChem (CID 81048225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).