N-[3-chloro-2-(2-methoxyethoxy)phenyl]-4-[[(3R)-1,1-dioxothiolan-3-yl]amino]piperidine-1-carboxamide

C19H28ClN3O5S — CID 97325404

IUPACN-[3-chloro-2-(2-methoxyethoxy)phenyl]-4-[[(3R)-1,1-dioxothiolan-3-yl]amino]piperidine-1-carboxamide
SMILESCOCCOc1c(Cl)cccc1NC(=O)N1CCC(N[C@@H]2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C19H28ClN3O5S/c1-27-10-11-28-18-16(20)3-2-4-17(18)22-19(24)23-8-5-14(6-9-23)21-15-7-12-29(25,26)13-15/h2-4,14-15,21H,5-13H2,1H3,(H,22,24)/t15-/m1/s1
InChIKeyGIAJTMFXLLGWCR-OAHLLOKOSA-N
MW445.97 g/mol
LogP2.14
Rot. Bonds7

About N-[3-chloro-2-(2-methoxyethoxy)phenyl]-4-[[(3R)-1,1-dioxothiolan-3-yl]amino]piperidine-1-carboxamide

N-[3-chloro-2-(2-methoxyethoxy)phenyl]-4-[[(3R)-1,1-dioxothiolan-3-yl]amino]piperidine-1-carboxamide (PubChem CID 97325404) has the molecular formula C19H28ClN3O5S and a molecular weight of 445.97 g/mol. Its IUPAC name is N-[3-chloro-2-(2-methoxyethoxy)phenyl]-4-[[(3R)-1,1-dioxothiolan-3-yl]amino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-2-(2-methoxyethoxy)phenyl]-4-[[(3R)-1,1-dioxothiolan-3-yl]amino]piperidine-1-carboxamide
PubChem CID97325404
Molecular FormulaC19H28ClN3O5S
Molecular Weight445.97 g/mol
Exact Mass445.14
IUPAC NameN-[3-chloro-2-(2-methoxyethoxy)phenyl]-4-[[(3R)-1,1-dioxothiolan-3-yl]amino]piperidine-1-carboxamide
SMILESCOCCOc1c(Cl)cccc1NC(=O)N1CCC(N[C@@H]2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C19H28ClN3O5S/c1-27-10-11-28-18-16(20)3-2-4-17(18)22-19(24)23-8-5-14(6-9-23)21-15-7-12-29(25,26)13-15/h2-4,14-15,21H,5-13H2,1H3,(H,22,24)/t15-/m1/s1
InChIKeyGIAJTMFXLLGWCR-OAHLLOKOSA-N
XLogP2.14
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.97
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-chloro-2-(2-methoxyethoxy)phenyl]-4-[[(3R)-1,1-dioxothiolan-3-yl]amino]piperidine-1-carboxamide with MolForge

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Related Compounds

1-[[3-chloro-2-(2-methoxyethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122078161
N-[3-chloro-2-(2-methoxyethoxy)phenyl]thiomorpholine-4-carboxamide
CID 56820485
N-[3-chloro-2-(2-methoxyethoxy)phenyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
CID 47081676
4-(1,1-dioxothiolan-3-yl)-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 24616441
N-(3-chloro-2-methoxyphenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 86837947
1-[(3-chloro-2-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122077688
N-cyclohexyl-4-[(1,1-dioxothiolan-3-yl)amino]piperidine-1-carboxamide
CID 86786884
1-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 95177667
1-(2,3-dichlorophenyl)-3-(1,1-dioxothiolan-3-yl)urea
CID 110706193
2-(4-aminophenyl)-N-[3-chloro-2-(2-methoxyethoxy)phenyl]acetamide;hydrochloride
CID 86813908
4-benzoyl-N-[2-(2-methoxyethoxy)phenyl]piperidine-1-carboxamide
CID 47493503
(4aS,8aS)-N-(3-chloro-2-ethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-carboxamide
CID 74240403

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-(2-methoxyethoxy)phenyl]-4-[[(3R)-1,1-dioxothiolan-3-yl]amino]piperidine-1-carboxamide?
The IUPAC name of N-[3-chloro-2-(2-methoxyethoxy)phenyl]-4-[[(3R)-1,1-dioxothiolan-3-yl]amino]piperidine-1-carboxamide (CID 97325404) is N-[3-chloro-2-(2-methoxyethoxy)phenyl]-4-[[(3R)-1,1-dioxothiolan-3-yl]amino]piperidine-1-carboxamide.
What is the SMILES notation for N-[3-chloro-2-(2-methoxyethoxy)phenyl]-4-[[(3R)-1,1-dioxothiolan-3-yl]amino]piperidine-1-carboxamide?
The canonical SMILES for N-[3-chloro-2-(2-methoxyethoxy)phenyl]-4-[[(3R)-1,1-dioxothiolan-3-yl]amino]piperidine-1-carboxamide is COCCOc1c(Cl)cccc1NC(=O)N1CCC(N[C@@H]2CCS(=O)(=O)C2)CC1.
What is the InChIKey of N-[3-chloro-2-(2-methoxyethoxy)phenyl]-4-[[(3R)-1,1-dioxothiolan-3-yl]amino]piperidine-1-carboxamide?
The InChIKey is GIAJTMFXLLGWCR-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H28ClN3O5S/c1-27-10-11-28-18-16(20)3-2-4-17(18)22-19(24)23-8-5-14(6-9-23)21-15-7-12-29(25,26)13-15/h2-4,14-15,21H,5-13H2,1H3,(H,22,24)/t15-/m1/s1.
What are the key properties of N-[3-chloro-2-(2-methoxyethoxy)phenyl]-4-[[(3R)-1,1-dioxothiolan-3-yl]amino]piperidine-1-carboxamide?
N-[3-chloro-2-(2-methoxyethoxy)phenyl]-4-[[(3R)-1,1-dioxothiolan-3-yl]amino]piperidine-1-carboxamide has a molecular weight of 445.97 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-(2-methoxyethoxy)phenyl]-4-[[(3R)-1,1-dioxothiolan-3-yl]amino]piperidine-1-carboxamide is sourced from PubChem (CID 97325404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).