N-(tert-butylcarbamoyl)-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]propanamide

C21H34N6O5S — CID 43039479

IUPACN-(tert-butylcarbamoyl)-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)NC(=O)NC(C)(C)C)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1
InChIInChI=1S/C21H34N6O5S/c1-16(19(28)23-20(29)24-21(2,3)4)25-7-9-26(10-8-25)18-6-5-17(15-22-18)33(30,31)27-11-13-32-14-12-27/h5-6,15-16H,7-14H2,1-4H3,(H2,23,24,28,29)
InChIKeyBSHYXCXPARTKEZ-UHFFFAOYSA-N
MW482.61 g/mol
LogP0.24
Rot. Bonds5

About N-(tert-butylcarbamoyl)-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]propanamide

N-(tert-butylcarbamoyl)-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]propanamide (PubChem CID 43039479) has the molecular formula C21H34N6O5S and a molecular weight of 482.61 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]propanamide
PubChem CID43039479
Molecular FormulaC21H34N6O5S
Molecular Weight482.61 g/mol
Exact Mass482.23
IUPAC NameN-(tert-butylcarbamoyl)-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)NC(=O)NC(C)(C)C)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1
InChIInChI=1S/C21H34N6O5S/c1-16(19(28)23-20(29)24-21(2,3)4)25-7-9-26(10-8-25)18-6-5-17(15-22-18)33(30,31)27-11-13-32-14-12-27/h5-6,15-16H,7-14H2,1-4H3,(H2,23,24,28,29)
InChIKeyBSHYXCXPARTKEZ-UHFFFAOYSA-N
XLogP0.24
TPSA124.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.61
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(tert-butylcarbamoyl)-2-morpholin-4-ylpropanamide
CID 51242479
2-methylsulfanyl-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 24633618
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]butanamide
CID 43039481
2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]phenol
CID 9282198
N-(5-methyl-1,2-oxazol-3-yl)-4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazine-1-carboxamide
CID 24612405
4-[[6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 9311875
2-(4-methylphenyl)-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 24598564
N-(tert-butylcarbamoyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 24680027
(2S,6R)-2,6-dimethyl-4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)morpholine
CID 7042964
(1S)-1-(4-fluorophenyl)-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanol
CID 32605808
1-[4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 3000054
4-[[6-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 9186566

Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]propanamide (CID 43039479) is N-(tert-butylcarbamoyl)-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]propanamide is CC(C(=O)NC(=O)NC(C)(C)C)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]propanamide?
The InChIKey is BSHYXCXPARTKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N6O5S/c1-16(19(28)23-20(29)24-21(2,3)4)25-7-9-26(10-8-25)18-6-5-17(15-22-18)33(30,31)27-11-13-32-14-12-27/h5-6,15-16H,7-14H2,1-4H3,(H2,23,24,28,29).
What are the key properties of N-(tert-butylcarbamoyl)-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]propanamide?
N-(tert-butylcarbamoyl)-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]propanamide has a molecular weight of 482.61 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 43039479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).