1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-2-(tetrazol-1-yl)ethanone

C18H29N7O2 — CID 56876000

IUPAC1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
SMILESO=C(Cn1cnnn1)N1CCC(N2CCCC(C(=O)N3CCCC3)C2)CC1
InChIInChI=1S/C18H29N7O2/c26-17(13-25-14-19-20-21-25)22-10-5-16(6-11-22)24-9-3-4-15(12-24)18(27)23-7-1-2-8-23/h14-16H,1-13H2
InChIKeyXMHXBWURXPZKDY-UHFFFAOYSA-N
MW375.48 g/mol
LogP-0.00
Rot. Bonds4

About 1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-2-(tetrazol-1-yl)ethanone

1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-2-(tetrazol-1-yl)ethanone (PubChem CID 56876000) has the molecular formula C18H29N7O2 and a molecular weight of 375.48 g/mol. Its IUPAC name is 1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-2-(tetrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
PubChem CID56876000
Molecular FormulaC18H29N7O2
Molecular Weight375.48 g/mol
Exact Mass375.24
IUPAC Name1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
SMILESO=C(Cn1cnnn1)N1CCC(N2CCCC(C(=O)N3CCCC3)C2)CC1
InChIInChI=1S/C18H29N7O2/c26-17(13-25-14-19-20-21-25)22-10-5-16(6-11-22)24-9-3-4-15(12-24)18(27)23-7-1-2-8-23/h14-16H,1-13H2
InChIKeyXMHXBWURXPZKDY-UHFFFAOYSA-N
XLogP-0.00
TPSA87.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 5-0.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-2-(tetrazol-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-2-(tetrazol-1-yl)ethanone?
The IUPAC name of 1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-2-(tetrazol-1-yl)ethanone (CID 56876000) is 1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-2-(tetrazol-1-yl)ethanone.
What is the SMILES notation for 1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-2-(tetrazol-1-yl)ethanone?
The canonical SMILES for 1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-2-(tetrazol-1-yl)ethanone is O=C(Cn1cnnn1)N1CCC(N2CCCC(C(=O)N3CCCC3)C2)CC1.
What is the InChIKey of 1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-2-(tetrazol-1-yl)ethanone?
The InChIKey is XMHXBWURXPZKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N7O2/c26-17(13-25-14-19-20-21-25)22-10-5-16(6-11-22)24-9-3-4-15(12-24)18(27)23-7-1-2-8-23/h14-16H,1-13H2.
What are the key properties of 1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-2-(tetrazol-1-yl)ethanone?
1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-2-(tetrazol-1-yl)ethanone has a molecular weight of 375.48 g/mol, XLogP of -0.00, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-2-(tetrazol-1-yl)ethanone is sourced from PubChem (CID 56876000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).