(3,3-dimethylcyclobuten-1-yl)-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]methanone

C14H21N5O — CID 166279880

IUPAC(3,3-dimethylcyclobuten-1-yl)-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]methanone
SMILESCC1(C)C=C(C(=O)N2CCC(Cc3nn[nH]n3)CC2)C1
InChIInChI=1S/C14H21N5O/c1-14(2)8-11(9-14)13(20)19-5-3-10(4-6-19)7-12-15-17-18-16-12/h8,10H,3-7,9H2,1-2H3,(H,15,16,17,18)
InChIKeyRENZDPWVTWIRLU-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.34
Rot. Bonds3

About (3,3-dimethylcyclobuten-1-yl)-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]methanone

(3,3-dimethylcyclobuten-1-yl)-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]methanone (PubChem CID 166279880) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is (3,3-dimethylcyclobuten-1-yl)-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,3-dimethylcyclobuten-1-yl)-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]methanone
PubChem CID166279880
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name(3,3-dimethylcyclobuten-1-yl)-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]methanone
SMILESCC1(C)C=C(C(=O)N2CCC(Cc3nn[nH]n3)CC2)C1
InChIInChI=1S/C14H21N5O/c1-14(2)8-11(9-14)13(20)19-5-3-10(4-6-19)7-12-15-17-18-16-12/h8,10H,3-7,9H2,1-2H3,(H,15,16,17,18)
InChIKeyRENZDPWVTWIRLU-UHFFFAOYSA-N
XLogP1.34
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylcyclobuten-1-yl)-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (3,3-dimethylcyclobuten-1-yl)-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]methanone (CID 166279880) is (3,3-dimethylcyclobuten-1-yl)-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3,3-dimethylcyclobuten-1-yl)-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3,3-dimethylcyclobuten-1-yl)-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]methanone is CC1(C)C=C(C(=O)N2CCC(Cc3nn[nH]n3)CC2)C1.
What is the InChIKey of (3,3-dimethylcyclobuten-1-yl)-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is RENZDPWVTWIRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-14(2)8-11(9-14)13(20)19-5-3-10(4-6-19)7-12-15-17-18-16-12/h8,10H,3-7,9H2,1-2H3,(H,15,16,17,18).
What are the key properties of (3,3-dimethylcyclobuten-1-yl)-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]methanone?
(3,3-dimethylcyclobuten-1-yl)-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 275.36 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylcyclobuten-1-yl)-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 166279880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).