(3S)-N,N-diethyl-1-[2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetyl]piperidine-3-carboxamide

C18H33N7O2 — CID 26329166

IUPAC(3S)-N,N-diethyl-1-[2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetyl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)[C@H]1CCCN(C(=O)Cn2nnnc2CN(C)C(C)C)C1
InChIInChI=1S/C18H33N7O2/c1-6-23(7-2)18(27)15-9-8-10-24(11-15)17(26)13-25-16(19-20-21-25)12-22(5)14(3)4/h14-15H,6-13H2,1-5H3/t15-/m0/s1
InChIKeyQMDZWPLMJROROC-HNNXBMFYSA-N
MW379.51 g/mol
LogP0.62
Rot. Bonds8

About (3S)-N,N-diethyl-1-[2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetyl]piperidine-3-carboxamide

(3S)-N,N-diethyl-1-[2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetyl]piperidine-3-carboxamide (PubChem CID 26329166) has the molecular formula C18H33N7O2 and a molecular weight of 379.51 g/mol. Its IUPAC name is (3S)-N,N-diethyl-1-[2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N,N-diethyl-1-[2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetyl]piperidine-3-carboxamide
PubChem CID26329166
Molecular FormulaC18H33N7O2
Molecular Weight379.51 g/mol
Exact Mass379.27
IUPAC Name(3S)-N,N-diethyl-1-[2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetyl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)[C@H]1CCCN(C(=O)Cn2nnnc2CN(C)C(C)C)C1
InChIInChI=1S/C18H33N7O2/c1-6-23(7-2)18(27)15-9-8-10-24(11-15)17(26)13-25-16(19-20-21-25)12-22(5)14(3)4/h14-15H,6-13H2,1-5H3/t15-/m0/s1
InChIKeyQMDZWPLMJROROC-HNNXBMFYSA-N
XLogP0.62
TPSA87.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-diethyl-1-[2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N,N-diethyl-1-[2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetyl]piperidine-3-carboxamide (CID 26329166) is (3S)-N,N-diethyl-1-[2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N,N-diethyl-1-[2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N,N-diethyl-1-[2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetyl]piperidine-3-carboxamide is CCN(CC)C(=O)[C@H]1CCCN(C(=O)Cn2nnnc2CN(C)C(C)C)C1.
What is the InChIKey of (3S)-N,N-diethyl-1-[2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetyl]piperidine-3-carboxamide?
The InChIKey is QMDZWPLMJROROC-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H33N7O2/c1-6-23(7-2)18(27)15-9-8-10-24(11-15)17(26)13-25-16(19-20-21-25)12-22(5)14(3)4/h14-15H,6-13H2,1-5H3/t15-/m0/s1.
What are the key properties of (3S)-N,N-diethyl-1-[2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetyl]piperidine-3-carboxamide?
(3S)-N,N-diethyl-1-[2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetyl]piperidine-3-carboxamide has a molecular weight of 379.51 g/mol, XLogP of 0.62, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-diethyl-1-[2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 26329166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).