[1-[1-[(4-methylthiadiazol-5-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone

C19H31N5OS — CID 70776365

IUPAC[1-[1-[(4-methylthiadiazol-5-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCc1nnsc1CN1CCC(N2CCCC(C(=O)N3CCCC3)C2)CC1
InChIInChI=1S/C19H31N5OS/c1-15-18(26-21-20-15)14-22-11-6-17(7-12-22)24-10-4-5-16(13-24)19(25)23-8-2-3-9-23/h16-17H,2-14H2,1H3
InChIKeyZEEPGRDARQFSIR-UHFFFAOYSA-N
MW377.56 g/mol
LogP2.15
Rot. Bonds4

About [1-[1-[(4-methylthiadiazol-5-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone

[1-[1-[(4-methylthiadiazol-5-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 70776365) has the molecular formula C19H31N5OS and a molecular weight of 377.56 g/mol. Its IUPAC name is [1-[1-[(4-methylthiadiazol-5-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[1-[(4-methylthiadiazol-5-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID70776365
Molecular FormulaC19H31N5OS
Molecular Weight377.56 g/mol
Exact Mass377.22
IUPAC Name[1-[1-[(4-methylthiadiazol-5-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCc1nnsc1CN1CCC(N2CCCC(C(=O)N3CCCC3)C2)CC1
InChIInChI=1S/C19H31N5OS/c1-15-18(26-21-20-15)14-22-11-6-17(7-12-22)24-10-4-5-16(13-24)19(25)23-8-2-3-9-23/h16-17H,2-14H2,1H3
InChIKeyZEEPGRDARQFSIR-UHFFFAOYSA-N
XLogP2.15
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.56
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[1-[(4-methylthiadiazol-5-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[1-[(4-methylthiadiazol-5-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (CID 70776365) is [1-[1-[(4-methylthiadiazol-5-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[1-[(4-methylthiadiazol-5-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[1-[(4-methylthiadiazol-5-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is Cc1nnsc1CN1CCC(N2CCCC(C(=O)N3CCCC3)C2)CC1.
What is the InChIKey of [1-[1-[(4-methylthiadiazol-5-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is ZEEPGRDARQFSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5OS/c1-15-18(26-21-20-15)14-22-11-6-17(7-12-22)24-10-4-5-16(13-24)19(25)23-8-2-3-9-23/h16-17H,2-14H2,1H3.
What are the key properties of [1-[1-[(4-methylthiadiazol-5-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
[1-[1-[(4-methylthiadiazol-5-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 377.56 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[(4-methylthiadiazol-5-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 70776365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).