N-butan-2-yl-2-[4-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)piperazin-1-yl]acetamide

C19H29ClN4O3 — CID 55885110

IUPACN-butan-2-yl-2-[4-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)piperazin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCN(C(=O)c2cnc(OC(C)C)c(Cl)c2)CC1
InChIInChI=1S/C19H29ClN4O3/c1-5-14(4)22-17(25)12-23-6-8-24(9-7-23)19(26)15-10-16(20)18(21-11-15)27-13(2)3/h10-11,13-14H,5-9,12H2,1-4H3,(H,22,25)
InChIKeyUNMGOQNVQHCTTR-UHFFFAOYSA-N
MW396.92 g/mol
LogP2.19
Rot. Bonds7

About N-butan-2-yl-2-[4-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)piperazin-1-yl]acetamide

N-butan-2-yl-2-[4-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)piperazin-1-yl]acetamide (PubChem CID 55885110) has the molecular formula C19H29ClN4O3 and a molecular weight of 396.92 g/mol. Its IUPAC name is N-butan-2-yl-2-[4-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[4-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)piperazin-1-yl]acetamide
PubChem CID55885110
Molecular FormulaC19H29ClN4O3
Molecular Weight396.92 g/mol
Exact Mass396.19
IUPAC NameN-butan-2-yl-2-[4-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)piperazin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCN(C(=O)c2cnc(OC(C)C)c(Cl)c2)CC1
InChIInChI=1S/C19H29ClN4O3/c1-5-14(4)22-17(25)12-23-6-8-24(9-7-23)19(26)15-10-16(20)18(21-11-15)27-13(2)3/h10-11,13-14H,5-9,12H2,1-4H3,(H,22,25)
InChIKeyUNMGOQNVQHCTTR-UHFFFAOYSA-N
XLogP2.19
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-butan-2-yl-2-[4-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)piperazin-1-yl]acetamide with MolForge

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Related Compounds

2-[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide
CID 134043822
N-butan-2-yl-2-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]acetamide
CID 134043905
N-[(2R)-butan-2-yl]-2-[4-(3-chlorobenzoyl)piperazin-1-yl]acetamide
CID 32665716
(5-chloro-6-propan-2-yloxy-3-pyridinyl)-[4-[(1-ethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 86905597
N-butan-2-yl-2-[4-(2,4-dichloro-6-hydroxybenzoyl)piperazin-1-yl]acetamide
CID 146091593
1-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)piperidine-3-carboxylic acid
CID 75421699
[1-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 55854581
N-butan-2-yl-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]acetamide
CID 134049016
2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 18156810
N-butan-2-yl-2-[4-(3-cyanobenzoyl)piperazin-1-yl]acetamide
CID 134043760
N-butan-2-yl-2-[4-[4-(trifluoromethoxy)benzoyl]piperazin-1-yl]acetamide
CID 134043731
N-butan-2-yl-2-[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]acetamide
CID 55564403

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[4-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-butan-2-yl-2-[4-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)piperazin-1-yl]acetamide (CID 55885110) is N-butan-2-yl-2-[4-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[4-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[4-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)piperazin-1-yl]acetamide is CCC(C)NC(=O)CN1CCN(C(=O)c2cnc(OC(C)C)c(Cl)c2)CC1.
What is the InChIKey of N-butan-2-yl-2-[4-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is UNMGOQNVQHCTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN4O3/c1-5-14(4)22-17(25)12-23-6-8-24(9-7-23)19(26)15-10-16(20)18(21-11-15)27-13(2)3/h10-11,13-14H,5-9,12H2,1-4H3,(H,22,25).
What are the key properties of N-butan-2-yl-2-[4-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)piperazin-1-yl]acetamide?
N-butan-2-yl-2-[4-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 396.92 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[4-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 55885110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).