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

C19H31N5O2S — CID 56881278

IUPAC[1-[1-[(4-methylthiadiazol-5-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCc1nnsc1CN1CCC(N2CCCC(C(=O)N3CCOCC3)C2)CC1
InChIInChI=1S/C19H31N5O2S/c1-15-18(27-21-20-15)14-22-7-4-17(5-8-22)24-6-2-3-16(13-24)19(25)23-9-11-26-12-10-23/h16-17H,2-14H2,1H3
InChIKeyBSKYHRAATQDPGO-UHFFFAOYSA-N
MW393.56 g/mol
LogP1.38
Rot. Bonds4

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

[1-[1-[(4-methylthiadiazol-5-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 56881278) has the molecular formula C19H31N5O2S and a molecular weight of 393.56 g/mol. Its IUPAC name is [1-[1-[(4-methylthiadiazol-5-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[1-[(4-methylthiadiazol-5-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID56881278
Molecular FormulaC19H31N5O2S
Molecular Weight393.56 g/mol
Exact Mass393.22
IUPAC Name[1-[1-[(4-methylthiadiazol-5-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCc1nnsc1CN1CCC(N2CCCC(C(=O)N3CCOCC3)C2)CC1
InChIInChI=1S/C19H31N5O2S/c1-15-18(27-21-20-15)14-22-7-4-17(5-8-22)24-6-2-3-16(13-24)19(25)23-9-11-26-12-10-23/h16-17H,2-14H2,1H3
InChIKeyBSKYHRAATQDPGO-UHFFFAOYSA-N
XLogP1.38
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.56
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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]-morpholin-4-ylmethanone?
The IUPAC name of [1-[1-[(4-methylthiadiazol-5-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone (CID 56881278) is [1-[1-[(4-methylthiadiazol-5-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[1-[(4-methylthiadiazol-5-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[1-[(4-methylthiadiazol-5-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone is Cc1nnsc1CN1CCC(N2CCCC(C(=O)N3CCOCC3)C2)CC1.
What is the InChIKey of [1-[1-[(4-methylthiadiazol-5-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is BSKYHRAATQDPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2S/c1-15-18(27-21-20-15)14-22-7-4-17(5-8-22)24-6-2-3-16(13-24)19(25)23-9-11-26-12-10-23/h16-17H,2-14H2,1H3.
What are the key properties of [1-[1-[(4-methylthiadiazol-5-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone?
[1-[1-[(4-methylthiadiazol-5-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 393.56 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 7 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]-morpholin-4-ylmethanone is sourced from PubChem (CID 56881278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).