N-[[(4R)-4-hydroxy-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]azepan-4-yl]methyl]piperidine-1-carboxamide

C17H29N5O2S — CID 95710139

IUPACN-[[(4R)-4-hydroxy-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]azepan-4-yl]methyl]piperidine-1-carboxamide
SMILESCc1nnc(CN2CCC[C@](O)(CNC(=O)N3CCCCC3)CC2)s1
InChIInChI=1S/C17H29N5O2S/c1-14-19-20-15(25-14)12-21-8-5-6-17(24,7-11-21)13-18-16(23)22-9-3-2-4-10-22/h24H,2-13H2,1H3,(H,18,23)/t17-/m1/s1
InChIKeyLXEOWLAGPQTNQT-QGZVFWFLSA-N
MW367.52 g/mol
LogP1.76
Rot. Bonds4

About N-[[(4R)-4-hydroxy-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]azepan-4-yl]methyl]piperidine-1-carboxamide

N-[[(4R)-4-hydroxy-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]azepan-4-yl]methyl]piperidine-1-carboxamide (PubChem CID 95710139) has the molecular formula C17H29N5O2S and a molecular weight of 367.52 g/mol. Its IUPAC name is N-[[(4R)-4-hydroxy-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]azepan-4-yl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[(4R)-4-hydroxy-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]azepan-4-yl]methyl]piperidine-1-carboxamide
PubChem CID95710139
Molecular FormulaC17H29N5O2S
Molecular Weight367.52 g/mol
Exact Mass367.20
IUPAC NameN-[[(4R)-4-hydroxy-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]azepan-4-yl]methyl]piperidine-1-carboxamide
SMILESCc1nnc(CN2CCC[C@](O)(CNC(=O)N3CCCCC3)CC2)s1
InChIInChI=1S/C17H29N5O2S/c1-14-19-20-15(25-14)12-21-8-5-6-17(24,7-11-21)13-18-16(23)22-9-3-2-4-10-22/h24H,2-13H2,1H3,(H,18,23)/t17-/m1/s1
InChIKeyLXEOWLAGPQTNQT-QGZVFWFLSA-N
XLogP1.76
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(4R)-4-hydroxy-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]azepan-4-yl]methyl]piperidine-1-carboxamide?
The IUPAC name of N-[[(4R)-4-hydroxy-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]azepan-4-yl]methyl]piperidine-1-carboxamide (CID 95710139) is N-[[(4R)-4-hydroxy-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]azepan-4-yl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[[(4R)-4-hydroxy-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]azepan-4-yl]methyl]piperidine-1-carboxamide?
The canonical SMILES for N-[[(4R)-4-hydroxy-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]azepan-4-yl]methyl]piperidine-1-carboxamide is Cc1nnc(CN2CCC[C@](O)(CNC(=O)N3CCCCC3)CC2)s1.
What is the InChIKey of N-[[(4R)-4-hydroxy-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]azepan-4-yl]methyl]piperidine-1-carboxamide?
The InChIKey is LXEOWLAGPQTNQT-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H29N5O2S/c1-14-19-20-15(25-14)12-21-8-5-6-17(24,7-11-21)13-18-16(23)22-9-3-2-4-10-22/h24H,2-13H2,1H3,(H,18,23)/t17-/m1/s1.
What are the key properties of N-[[(4R)-4-hydroxy-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]azepan-4-yl]methyl]piperidine-1-carboxamide?
N-[[(4R)-4-hydroxy-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]azepan-4-yl]methyl]piperidine-1-carboxamide has a molecular weight of 367.52 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4R)-4-hydroxy-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]azepan-4-yl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 95710139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).