N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)thiadiazole-5-carboxamide

C20H32N4O2S — CID 45246531

IUPACN-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N(CC1CCN(C2CCCC2)CC1)CC1CCCO1
InChIInChI=1S/C20H32N4O2S/c1-15-19(27-22-21-15)20(25)24(14-18-7-4-12-26-18)13-16-8-10-23(11-9-16)17-5-2-3-6-17/h16-18H,2-14H2,1H3
InChIKeyBEVJXVCRFSDPAX-UHFFFAOYSA-N
MW392.57 g/mol
LogP3.12
Rot. Bonds6

About N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)thiadiazole-5-carboxamide

N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)thiadiazole-5-carboxamide (PubChem CID 45246531) has the molecular formula C20H32N4O2S and a molecular weight of 392.57 g/mol. Its IUPAC name is N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)thiadiazole-5-carboxamide
PubChem CID45246531
Molecular FormulaC20H32N4O2S
Molecular Weight392.57 g/mol
Exact Mass392.22
IUPAC NameN-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N(CC1CCN(C2CCCC2)CC1)CC1CCCO1
InChIInChI=1S/C20H32N4O2S/c1-15-19(27-22-21-15)20(25)24(14-18-7-4-12-26-18)13-16-8-10-23(11-9-16)17-5-2-3-6-17/h16-18H,2-14H2,1H3
InChIKeyBEVJXVCRFSDPAX-UHFFFAOYSA-N
XLogP3.12
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.57
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)thiadiazole-5-carboxamide?
The IUPAC name of N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)thiadiazole-5-carboxamide (CID 45246531) is N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)thiadiazole-5-carboxamide is Cc1nnsc1C(=O)N(CC1CCN(C2CCCC2)CC1)CC1CCCO1.
What is the InChIKey of N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)thiadiazole-5-carboxamide?
The InChIKey is BEVJXVCRFSDPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2S/c1-15-19(27-22-21-15)20(25)24(14-18-7-4-12-26-18)13-16-8-10-23(11-9-16)17-5-2-3-6-17/h16-18H,2-14H2,1H3.
What are the key properties of N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)thiadiazole-5-carboxamide?
N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)thiadiazole-5-carboxamide has a molecular weight of 392.57 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 45246531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).