N-cycloheptyl-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide

C16H29N3O3S — CID 113109610

IUPACN-cycloheptyl-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide
SMILESO=C(NC1CCCCCC1)N1CCN(C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C16H29N3O3S/c20-16(17-14-5-3-1-2-4-6-14)19-10-8-18(9-11-19)15-7-12-23(21,22)13-15/h14-15H,1-13H2,(H,17,20)
InChIKeyPXVNDROBUMIHFE-UHFFFAOYSA-N
MW343.49 g/mol
LogP1.22
Rot. Bonds2

About N-cycloheptyl-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide

N-cycloheptyl-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide (PubChem CID 113109610) has the molecular formula C16H29N3O3S and a molecular weight of 343.49 g/mol. Its IUPAC name is N-cycloheptyl-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide
PubChem CID113109610
Molecular FormulaC16H29N3O3S
Molecular Weight343.49 g/mol
Exact Mass343.19
IUPAC NameN-cycloheptyl-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide
SMILESO=C(NC1CCCCCC1)N1CCN(C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C16H29N3O3S/c20-16(17-14-5-3-1-2-4-6-14)19-10-8-18(9-11-19)15-7-12-23(21,22)13-15/h14-15H,1-13H2,(H,17,20)
InChIKeyPXVNDROBUMIHFE-UHFFFAOYSA-N
XLogP1.22
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-4-[(1,1-dioxothiolan-3-yl)amino]piperidine-1-carboxamide
CID 86786884
N-cyclohexyl-4-(oxetan-3-yl)piperazine-1-carboxamide
CID 153404857
N-[(3S)-1,1-dioxothiolan-3-yl]azepane-1-carboxamide
CID 2424807
N-cyclohexyl-4-(oxetan-3-yl)piperazine-1-carboxamide;ethane
CID 153404856
N-(1,1-dioxothiolan-3-yl)pyrrolidine-1-carboxamide
CID 47127958
N-cyclohexyl-4-piperidin-1-ylpiperidine-1-carboxamide
CID 23604706
4-cyclopentyl-N-(oxan-4-yl)piperazine-1-carboxamide
CID 121184730
N-(1,1-dioxothian-3-yl)pyrrolidine-1-carboxamide
CID 115629618
N-cycloheptylpiperidine-1-carboxamide
CID 54054704
N-cyclopentyl-4-(thiolan-3-yl)-1,4-diazepane-1-carboxamide
CID 134160864
N-cyclohexyl-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carboxamide
CID 49289387
N-benzyl-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide
CID 24664554

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide?
The IUPAC name of N-cycloheptyl-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide (CID 113109610) is N-cycloheptyl-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-cycloheptyl-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide?
The canonical SMILES for N-cycloheptyl-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide is O=C(NC1CCCCCC1)N1CCN(C2CCS(=O)(=O)C2)CC1.
What is the InChIKey of N-cycloheptyl-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide?
The InChIKey is PXVNDROBUMIHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3S/c20-16(17-14-5-3-1-2-4-6-14)19-10-8-18(9-11-19)15-7-12-23(21,22)13-15/h14-15H,1-13H2,(H,17,20).
What are the key properties of N-cycloheptyl-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide?
N-cycloheptyl-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide has a molecular weight of 343.49 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 113109610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).