N-propan-2-yl-2-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetamide

C18H29N5O3S — CID 55370178

IUPACN-propan-2-yl-2-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetamide
SMILESCC(C)NC(=O)CN1CCN(c2ccc(S(=O)(=O)N3CCCC3)cn2)CC1
InChIInChI=1S/C18H29N5O3S/c1-15(2)20-18(24)14-21-9-11-22(12-10-21)17-6-5-16(13-19-17)27(25,26)23-7-3-4-8-23/h5-6,13,15H,3-4,7-12,14H2,1-2H3,(H,20,24)
InChIKeyNLMLUZNHYFRHAI-UHFFFAOYSA-N
MW395.53 g/mol
LogP0.51
Rot. Bonds6

About N-propan-2-yl-2-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetamide

N-propan-2-yl-2-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetamide (PubChem CID 55370178) has the molecular formula C18H29N5O3S and a molecular weight of 395.53 g/mol. Its IUPAC name is N-propan-2-yl-2-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetamide
PubChem CID55370178
Molecular FormulaC18H29N5O3S
Molecular Weight395.53 g/mol
Exact Mass395.20
IUPAC NameN-propan-2-yl-2-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetamide
SMILESCC(C)NC(=O)CN1CCN(c2ccc(S(=O)(=O)N3CCCC3)cn2)CC1
InChIInChI=1S/C18H29N5O3S/c1-15(2)20-18(24)14-21-9-11-22(12-10-21)17-6-5-16(13-19-17)27(25,26)23-7-3-4-8-23/h5-6,13,15H,3-4,7-12,14H2,1-2H3,(H,20,24)
InChIKeyNLMLUZNHYFRHAI-UHFFFAOYSA-N
XLogP0.51
TPSA85.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-1-[4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]propan-2-ol
CID 133486332
1-[4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 3000054
1-propyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)-1,4-diazepane
CID 133322500
N-benzyl-2-[4-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperazin-1-yl]acetamide
CID 24607567
1-(4-methylphenyl)sulfonyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)-1,4-diazepane
CID 16567822
1-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]sulfonylazepane
CID 24606772
(4-methylphenyl)-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone
CID 60505605
2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-propan-2-ylacetamide
CID 40752368
cyclopentyl-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone
CID 36727474
N-[(4-methylphenyl)methyl]-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidine-4-carboxamide
CID 133356293
1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)azetidine-3-carboxylic acid
CID 122064558
2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]-N-naphthalen-2-ylacetamide
CID 43037992

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetamide?
The IUPAC name of N-propan-2-yl-2-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetamide (CID 55370178) is N-propan-2-yl-2-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-propan-2-yl-2-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-propan-2-yl-2-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetamide is CC(C)NC(=O)CN1CCN(c2ccc(S(=O)(=O)N3CCCC3)cn2)CC1.
What is the InChIKey of N-propan-2-yl-2-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetamide?
The InChIKey is NLMLUZNHYFRHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3S/c1-15(2)20-18(24)14-21-9-11-22(12-10-21)17-6-5-16(13-19-17)27(25,26)23-7-3-4-8-23/h5-6,13,15H,3-4,7-12,14H2,1-2H3,(H,20,24).
What are the key properties of N-propan-2-yl-2-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetamide?
N-propan-2-yl-2-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetamide has a molecular weight of 395.53 g/mol, XLogP of 0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 55370178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).