N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide

C22H31N5O2S — CID 56583155

IUPACN-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCc1nc(CN2CCC(C(=O)NCc3cccc(NC(=O)CN(C)C)c3)CC2)cs1
InChIInChI=1S/C22H31N5O2S/c1-16-24-20(15-30-16)13-27-9-7-18(8-10-27)22(29)23-12-17-5-4-6-19(11-17)25-21(28)14-26(2)3/h4-6,11,15,18H,7-10,12-14H2,1-3H3,(H,23,29)(H,25,28)
InChIKeyRBICOWBCODQEQG-UHFFFAOYSA-N
MW429.59 g/mol
LogP2.48
Rot. Bonds8

About N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide

N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 56583155) has the molecular formula C22H31N5O2S and a molecular weight of 429.59 g/mol. Its IUPAC name is N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
PubChem CID56583155
Molecular FormulaC22H31N5O2S
Molecular Weight429.59 g/mol
Exact Mass429.22
IUPAC NameN-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCc1nc(CN2CCC(C(=O)NCc3cccc(NC(=O)CN(C)C)c3)CC2)cs1
InChIInChI=1S/C22H31N5O2S/c1-16-24-20(15-30-16)13-27-9-7-18(8-10-27)22(29)23-12-17-5-4-6-19(11-17)25-21(28)14-26(2)3/h4-6,11,15,18H,7-10,12-14H2,1-3H3,(H,23,29)(H,25,28)
InChIKeyRBICOWBCODQEQG-UHFFFAOYSA-N
XLogP2.48
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

3-[3-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carbonyl]amino]phenyl]propanoic acid
CID 120613883
2-(dimethylamino)-N-[3-[[[N,N'-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamimidoyl]amino]methyl]phenyl]acetamide
CID 109422956
N-[2-(4-chloroanilino)-2-oxoethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56583103
N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 55487784
N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56513330
N-(2,2-diphenylethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56540520
N-[2-(benzenesulfonyl)ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56583013
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 31344407
(2S)-2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carbonyl]amino]-3-phenylpropanoic acid
CID 119366533
N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56585989
S-[2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carbonyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56585308
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 126767888

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide (CID 56583155) is N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide is Cc1nc(CN2CCC(C(=O)NCc3cccc(NC(=O)CN(C)C)c3)CC2)cs1.
What is the InChIKey of N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is RBICOWBCODQEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2S/c1-16-24-20(15-30-16)13-27-9-7-18(8-10-27)22(29)23-12-17-5-4-6-19(11-17)25-21(28)14-26(2)3/h4-6,11,15,18H,7-10,12-14H2,1-3H3,(H,23,29)(H,25,28).
What are the key properties of N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 429.59 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 56583155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).